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Known Bioactive Library: Microsource Discovery 1

ICCB-L ICCB-L Vendor ID Compound Name Bioactivity Source TradeName References Cas # Plate Well Appl Microbiol Biotechnol 82:333 3264 A03 01506125 ALLYLTHIOUREA chelating agent synthetic 109-57-9 (2009) J Clin Endocrinol Metab 75:901 3264 A05 01506047 TIRATRICOL agent synthetic TRIAC 51-24-1 (1992) Toxicol Appl Pharmacol 14:515 synthetic; ENT- 3264 A07 01504191 PIPERONYL BUTOXIDE synergist BUTACIDE (1969); IARC Monographs 30:183 51-03-6 14250 (1983) 3264 A09 01506153 CARGLUMIC ACID carbamylphosphate synthetase activator synthetic CARBAGLU 1188-38-1 DIFLOXACIN synthetic; Abbott- Antimicrob Agents Chemother 29:193 3264 A11 01502359 antibacterial, DNA gyrase inhibitor DICURAL 91296-86-5 HYDROCHLORIDE 56619 (1986); 30:689 (1986 3264 A13 01506151 DEXFOSFOSERINE roborant synthetic 407-41-0 synthetic; ORF- Lancet 1:551 (1983); Int J Clin 3264 A15 01506200 THYMOPENTIN immunoregulator IMMUNOX 69558-55-0 15244 Pharmacol Res 4:431 (1984) 3264 A17 01506155 BENZOCLIDINE antihypertensive synthetic OXYLIDINE Pharmaceut Chem J 11:60 (1977) 16852-81-6 DARIFENACIN synthetic; UK- 3264 A19 01505714 M3 muscarinic antagonist, bladder suppressant ENABLEX 133099-07-7 HYDROBROMIDE 88525-04 3264 A21 01506158 MEPARFYLON , synthetic ALLOTROPAL Pharm J 2:184 (1976) 77-75-8 widely distributed in 3264 C03 01500987 GLUTAMINE (D) dietary suppliment NUTRESTORE 6899-04-3 plants J Clin Pharmacol Biopharm 17:475 3264 C05 01506173 NITROXOLINE antibacterial syntrhetic ENTEROCOL 4008-48-4 (1979); Pathol Biol 35:879 (1987) 3264 C07 01506108 TENYLIDONE synthetic 893-01-6 vasoconstrictor, , nasal 3264 C09 01506195 IPROHEPTINE synthetic METRON Arzneim Forsch 17:25 (1967) 13946-02-6 3264 C11 01502383 ERDOSTEINE mucolytic synthetic; Rrv-144 SECRESOLV 84611-23-4 JACS 63:263 (1941); Science 3264 C13 01502345 URACIL antineoplastic synthetic; SQ-6201 66-22-8 133:1923 (1961) Contact Dermatitis 6:222 (1980); Acta 3264 C15 01506199 MEXENEONE sunscreen synthetic UVISTAT 1641-17-4 Derm Venereol 79:211 (1999) synthetic; HOE- Arch Int Pharmacodyn Ther 8:77 3264 C17 01502551 CHLORETONE 57-15-8 095K (1901) Eur J Pharmacol 233:119 (1993); Biochem Biophys Res Commun 3264 C19 01506176 glycosylation inhibitor synthetic; GER-11 199:147 (1994); 225:525 (1996) 1937-19-5 HYDROCHLORIDE

PROFLAVINE 3264 C21 01504305 synthetic; Brit J Exper Path 28:1 (1947) 553-30-0, 1811-28-5 HEMISULFATE 3264 E03 01506166 PICONOL decongestant synthetic 586-98-1 3264 E05 00307080 d-LIMONENE skin irritant, sensitizer Citrus oils, Helv Chim Acta 46:1480 (1963) 138-86-7 3264 E07 01502400 semisynthetic J Clin Endocrinol 1:559 (1941) 113-38-2 DIPROPIONATE 3264 E09 00300047 anticholinergic, antispasmodic Scopolia tanguticus Naturwissenschaften 49: 281 (1962) 17659-49-3 HYDROBROMIDE citrus aurantium; 3264 E11 01506085 OXEDRINE anti-obesity 94-07-5 3264 E13 01301027 LACITOL , sweetener synthetic IMPORTAL 585-86-4, 81025-04-9 Antimicrob Agents Chemother 19:82 3264 E15 01506107 SULFACARBAMIDE antibacterial synthetic SULFAUREA 547-44-4 (1981) 3264 E17 01506106 SULBENTINE synthetic; D-47 FUNGIPLEX Arch Pharm 293:957 (1960) 350-12-9 3264 E19 01506161 HEXYLENE GLYCOL humectant synthetic; PC-1 107-41-5 ADRENOLONE 3264 E21 01506124 adrenergic (opthalmic) synthetic STRYPHNASAL Int J Pharmaceut 1:189 (1978) 62-13-5, 99-45-6 (base) HYDROCHLORIDE Pharmacol Toxicol 74:244 3264 G03 01502356 LEVOSIMENDAN vasodilator synthetic; OR-1254 SIMDAX (1994);Cardiovasc Drud Rev 14:286 141505-33-1 (1996)

MSDiscovery1 Page 1 of 10 Created 9/2015 ICCB-L ICCB-L Vendor ID Compound Name Bioactivity Source TradeName References Cas # Plate Well N-METHYL (-) 3264 G05 02300220 adrenergic agonist, analeptic synthetic 552-79-4 [1R,2S] synthetic; Bayer- 3264 G07 00330012 COUMOPHOS insecticide, cholinesterase inhibitor MELDANE 56-72-4 21199 3264 G09 01301025 ERYTHRITOL sweetener synthetic 149-32-6 J Chem Soc 1954:1171; 3264 G11 01505920 PANTETHINE antilipemic semisynthetic 16816-67-4 Atherosclerosis 50:73 (1984) 3264 G13 01502283 DIMESNA antineoplastic, uroprotectant synthetic 16208-51-8 , antiinflammatory, antipyretic, COX-II synthetic; ML- 3264 G15 01504526 FIROCOXIB EQIOXX Am J Vet Res 65:503 (2004) 189954-96-9 inhibitor 1785713 3264 G17 01505723 antiinflammatory semisynthetic CELESTOVET 987-24-6 ACETATE synthetic; BAY- Toxicol Appl Pharmacol 14:515 3264 G19 00330066 PROPOXUR insecticide BAYGON 114-26-1 39007, BAY-9010 (1969); Vet Med Rev 1:80 (1985) widespread in 3264 G21 01504524 hepatoprotectant, anticholesteremic 70-26-8 nature synthetic; R- enatiomer of 3264 I03 01504283 analeptic NUVIGIL 112111-43-0 (01505361) Eur J Biochem 229:558 3264 I05 01505167 ACADESINE glucose uptake ; AMPK activator synthetic ARASINE (1995)Biochem J 338:783 (1999); J 2627-69-2 Mol Neurosci 17:45 (2001) 3264 I07 00212151 antiinfectant, antifungal synthetic SITOSTERAN 72-80-0 meat extracts, sugar beet, Bacillus Biochem Biophys Res Commun subtilis, E. coli, 3264 I09 03100024 cell function activator, cardiotonic 13:394 (1963); J Pharmacol 14:47 58-63-9 Saccharomyces (1983) cerevisiae, Fusarium spp 3264 I11 01505456 PARAMETHADIONE synthetic PARADIONE 115-67-3 BETAMETHASONE 3264 I13 01505725 antiinflammatory, semisynthetic CELESTONE 151-73-5 semisynthetic; CL- J Econ Entomol 84:1266 (1991); Am J 3264 I15 01505394 MOXIDECTIN , CYDECTIN 113507-06-5 301423 Vet Res 53:1409 (1992) 3264 I17 01301017 AMYLENE HYDRATE hypnotic, antidiabetic, pharmaceutical aid synthetic Am J Med Sci 114:459 (1897) 75-85-4 ALISKIREN Curr Opin Invest 3:1479 3264 I19 01505710 synthetic TEKTURNA 173334-57-1 HEMIFUMARATE (2002); Circulation 111:1012 (2005) synthetic; NSC- 3264 I21 01301014 CAPTAMINE depigmentor 108-02-1 45463 3264 K03 01301015 CYCLAMIC ACID sweetener synthetic HEXAMIC ACID 100-88-9 3264 K05 01301016 DEHYDROACETIC ACID antifungal, antibacterial synthetic DHA J Pharmacol Exp Ther 99:57 (1950) 520-45-6 RIBOFLAVIN 5- wdiespread in 3264 K07 01505763 , cofactor Helv Chim Acta 35:457 (1952) 130-40-5 PHOSPHATE SODIUM plants and animals synthetic; CGA- 3264 K09 01505903 CYROMAZINE , insecticide, ectoparisitide 66215-27-8 72662 Arzneim Forsch 2:165 (1952); 3:503 3264 K11 01505082 CYCLANDELATE vasodilator synthetic; BS-572 CYCLOSPASMOL 456-59-7 (1953) J Ocular Pharmacol Ther 17:421 3264 K13 01503871 TRAVOPROST antiglaucoma, PG-FP agonist synthetic; AL-6221 TRAVATAN 157283-68-6 (2001); Opthalmology 109:998 (2002) synthetic; BMS- 3264 K15 01502275 DASATINIB antineoplastic SPRYCEL 863127-77-9 354825-03 Med Res Rev 7: 29 (1987); Am J Trop semisynthetic; 3264 K17 01504143 ARTENIMOL antimalarial, antiinflammatory Med Hyg 61:187 (199); Trends 81496-81-3 dihydroartemisinin Pharmacol Sci 20:199 (1999) widespread in 3264 K19 01504525 OROTIC ACID hepatoprotectant, uricosuric agent J Biol Chem 202:91 (1953) 65-86-1 animals

MSDiscovery1 Page 2 of 10 Created 9/2015 ICCB-L ICCB-L Vendor ID Compound Name Bioactivity Source TradeName References Cas # Plate Well J Chem Soc 1958: 2231; Org Biomol 3264 K21 01500819 BERGENIN hepatoprotectant Bergenia spp. 477-90-7 Chem. 6:2713 (2008) SODIUM TETRADECYL 3264 M03 01300042 sclerosing agent synthetic SOTRADECOL J Ind Hyg Toxicol 30:63 (1948) 139-88-8 SULFATE 52432-72-1, 468-61-1 3264 M05 01505774 OXELAIDIN CITRATE antitussive synthetic J Pharm Pharmacol 10:40 (1958) (base) CAMYLOFINE 3264 M07 01505785 anticholinergic synthetic 54-30-8 DIHYDROCHLORIDE 3264 M09 01504523 FTAXILIDE antiulcer synthetic; MP-12 19368-18-4 Arch Pathol Lab Med 100:127 (1976); 3264 M11 01504502 BITOSCANATE anthelmintic synthetic; 16842 JONIT 4044-65-9 J Pediatr Surg 18:131 (1983) 3264 M13 01503711 ORBIFLOXACIN antibacterial synthetic ORBAX 113617-63-3 synthetic; Chem Pharm Bull 25:1335 (1977; 3264 M15 01505762 PYRITINOL cognition enhancer, 1098-97-1 pyrithioxin Arzniem) Forsch 19:5 (1968) Cal West Med 37:405 (1932); J 3264 M17 01504510 CHINIOFON , amebicide synthetic YATREN Pharmacol. Exper Ther 45:273 8002-90-2 (1932). 3264 M19 01504616 MEPIROXOL antihyperlipemic synthetic 6968-72-5 , estrogen, treatment of menopausal adrenal glands, 3264 M21 01505083 Lancet 343:1479 (1994) 53-43-0 syndrome male urine synthetic; 3264 O03 00330058 CHLORPYRIFOS insecticide 2921-88-2 DURSBAN 3264 O05 01504507 CHLORINDIONE antcoagulant, Vitamine K antagonist synthetic; G25766 1146-99-2 3264 O07 01504505 CARZENIDE , carbonic anhydrase inhibitor synthetic 138-41-0 3264 O09 01504518 EFLOXATE coronary vasodilator synthetic 119-41-5 1837-57-6; 6402-23-9 3264 O11 01505168 ETHACRIDINE LACTATE antiseptic, abortifaceant synthetic RIVANOL Clin Obster Gynacol 11:573 (1984) (hydrate) synthetic; J Pharmacol Exp Ther 229:851 hepatotoxic at 3264 O13 01504617 ISAXONINE nerve growth stimulant (1984); J Neurol Neurosurg Psychiatry 4214-72-6 clinical dose 48:933 (1985) (1500mg) 3264 O15 01504515 DIACETAMATE analgesic, antiinflammatory synthetic 2623-33-8 synthetic; FMC- Pestic Sci 6:537 (1975); 8:264 (1977); 3264 O17 01503606 CYPERMETHRIN insecticide BASATHRIN 52315-07-8 30980, PP-383 Arch Toxicol 67:510 (1993) HYDROXYPROGESTERON 3264 O19 01701060 progestin urine and 3168-01-2 E J AOAC 58:694 (1975); Anal Chem 3264 O21 01502316 NIFURSOL antiprotozoal synthetic 318:522 (1984); Anal ChimiActa 16915-70-1 529:339- (2005) 3264 A04 00330021 pediculicide, insecticide, cholinesterase inhibitor synthetic OVIDE 121-75-5 ITOPRIDE Jpn J Pharmacol 71: 129 (1996); Jpn 3264 A06 01502353 dyspepsia therapy synthetic 122898-67-3 HYDROCHLORIDE Pharmacol Ther 25:822 (1997) 3264 A08 01506152 DIMETRIDAZOLE antiprotozoal synthetic; RP-8595 EMTRYL 551-92-8 Bioorganic Med Chem Ltrs 16:1898 3264 A10 01506194 NICOPHOLINE antitrypanosomal synthetic 492-85-3 (2006) fruits of Sorbus and Staerke 6:269, 303 (1954); 9:234 3264 A12 01300043 SORBITOL sweetening agent and humectant RESULAX 50-70-4 Crataegus spp (1955) synthetic; B-360, H- 3264 A14 01506169 gonadotropic hormone inhibitor PROFENONE JACS 49:1028 (1927) 70-70-2 365 3264 A16 01506168 OXINIACIC ACID antilipemic synthetic NOVACYL J Org Chem 19:1633 (1954) 2398-81-4 Rev Clin Exp 135:539 (1974); 141:51 3264 A18 01506175 PROCODAZOLE immune stimulant synthetic; AL-1241 ESTIMULOCEL 23249-97-0 (1976); Med Klin 181:78 (1976) synthetic; NSC- 3264 A20 01506182 NITARSONE antiprotozoal 98-72-6 5085 3264 A22 01506167 PICOLAMINE rubefacient synthetic 3731-52-0 Br J Radiol 49:979 (1976); J Nutr 3264 C04 01506163 SELENOMETHIONINE contrast agent synthetic 1464-42-2 130:1653 (2000) 3264 C06 01506105 AFALANINE pharmaceutical aid synthetic 2901-75-9 MSDiscovery1 Page 3 of 10 Created 9/2015 ICCB-L ICCB-L Vendor ID Compound Name Bioactivity Source TradeName References Cas # Plate Well 3264 C08 01301023 EDITOL alkylising agent synthetic QUADROL 102-60-3 3264 C10 01506156 PALMIDROL antiinflammatory max Science 258:1946 (1992). 544-31-0 mixture of anthranol CASANTHRANOL 3264 C12 01506179 laxative ex 8024-48-4 [cascaroside A shown] Cascara sagrada widespread in 3264 C14 01301024 D-(+)-MALTOSE nutrient, sweetener MALTOS 69-79-4 nature 32:257 (1978); J adrenocortical suppressant, antineoplastic, semisynthetic; WIN- 3264 C16 01504566 MODRASTANE Biochem 21:601 (1984); 13647-35-3 steroid biosynthesis inhibitor 24540 Pharmaceutical Res 9:464 (1992) synthetic; NSC- Gazz Med Ital 131:251, 265 (1972); 3264 C18 01503320 TIMONACIC hepatoprotectant DETOXEPA 444-27-9 25855 Lancet 1:68 (1980 synthetic; TEI-6720, 3264 C20 01504286 FEBUXOSTAT xanthine oxidase/dehydrogenase inhibitor ULORIC 144060-53-7 TMX-67 synthetic; YM-905, Curr Med Res Opin21:71 (2005); 3264 C22 01505497 SOLIFENACIN SUCCINATE muscarinic M3 antagonist VESICARE 242478-37-1 YM-67905 Drugs 66:175 (2006) 3264 E04 01506174 HYMECHROME choloretic synthetic; LM-94 CANTABILINE 90-33-5 3264 E06 01506178 LEVCYCLOSERINE , Gaucher's disease therapy synthetic 339-72-0 3264 E08 01505458 PHENSUCCIMIDE anticonvulsant synthetic MILONTIN J Lab Clin Med 41:78 (1953) 86-34-0 inhibitor of and seritonin uptake, synthetic; UNII- 3264 E10 01504815 SAVELLA 101152-94-7 HYDROCHLORIDE treatment of RNZ4305WW5 synthetic; enantomer of Aliment Pharmacol Ther 29:928 3264 E12 01504282 antiulcer, proton pump inhibitor DEXILANT 138530-94-6 (2009) (01503926) synthetic; RS- 64872-77-1, 64872-76-0 3264 E14 01504140 antifungal FEMSTAT 35887 [butoconazole] synthetic; WIN- 3264 E16 01503084 INAMRINONE INOCOR 60719-84-8 40680, AMRINONE 3264 E18 00212064 HYDROXYTOLUIC ACID analgesic, antiseptic synthetic; 3-MS 83-40-9 vegetables, fruits Biochem Biophys Res Commun 3264 E20 01506185 PIDOLIC ACID 98-79-3 and grasses 81:176 (1978) ALCLOMETAZONE semisynthetic; SCH- 3264 E22 01505125 antiinflammatory, glucocorticoid ACLOVATE 66734-13-2 DIPROPIONATE 22219 3264 G04 01504520 estrogen semisynthetic 547-81-9 Neuropsychopharmacol 33:1337 MELPERONE 3264 G06 01502266 neuroleptic, 5HT/2a antagonist synthetic; FG-5111 (1993); J Psychopharmacol 18:509 3575-80-2 HYDROCHLORIDE (2005) synthetic; CT-535- Blood 108:3674 (2006); Cell Cycle 3264 G08 01502277 TANDUTINIB kinase inhibitor 387867-13-2 18, MLN-518 8:2621 (2009) Eur J Pharmacol 111:191 (1985); ETICLOPRIDE 97612-24-3, 84226-12-0 3264 G10 01506039 D2 blocker synthetic Physiol Behav 61:563 (1997); 83:456 HYDROCHLORIDE (base) (2006) ALGESTONE semisynthetic; SQ- 3264 G12 01505720 antiacne, progestin DROXONE 24356-94-3 ACETOPHENIDE 15101 Acta Psychiat Scand 52:237 (1975); 3264 G14 01505690 PIPAMPERONE synthetic; R-3345 DIPIPERON 1893-33-0 Life Sci 80:74 (2006) Ann Pharm Fr 20:545 (1962); 3264 G16 01502370 CRYOFLURANE (local) synthetic FREON-114 76-14-2 Dermatol Surg 29:1057 (2003) 3264 G18 01505391 MONTELUKAST SODIUM leucotriene antagonist, antiasthmatic synthetic; MK-476 SINGULAIR 151767-02-1 Eur J Pharmacol 215:161 (1992); Clin PRAMIPEXOLE 3264 G20 01504202 , dopamine antagonist synthetic MIRAPEX Pharmacol Ther 51:541 (1992); JAMA 104632-26-0 DIHYDROCHLORIDE 278:125 (1997) broad-bean seeds TILARGININE and tissue; Br J Clin Pharmacol 38:307, 311 156706-47-7, 17035-90- 3264 G22 01502213 NO synthase inhibitor TARGININE HYDROCHLORIDE 546-C-88, ANO- (1994); J Med Chem 37:885 (1994) 4(base) 1020 3264 I04 00330017 DIMPYLATE insecticide, cholinesterase inhibitor synthetic; G-24480 DIAZINON 333-41-5

MSDiscovery1 Page 4 of 10 Created 9/2015 ICCB-L ICCB-L Vendor ID Compound Name Bioactivity Source TradeName References Cas # Plate Well J Urol 127:346 (1982);.J Vet 3264 I06 01502264 FLUROFAMIDE urease inhibitor synthsis; EU-4534 70788-28-3 Pharmacol Therap 9:280 (1986) 3264 I08 00330064 FENTHION insecticide, synthetic TIGUVON 55-38-9 synthetic; RO- 3264 I10 01502271 CAPECITABINE antineoplastic XELODA 154361-50-9 091978 synthetic; MAY-506- 3264 I12 01502286 NELARABIN antineoplastic ARRANON 121032-29-9 U synthetic; SCH- Cancer Treat Rev23:35 (1997); Exp 3264 I14 01502289 TEMOZOLAMIDE antineoplastic TEMODAR 85622-93-1 52365, M&B-39831 Rev Anticancer Ther 1:13 (2001) synthetic; BW-49- JACS 73:3758 (1951); J Med Chem 3264 I16 01502300 DIAVERIDINE antibacterial 5355-16-18 210 14:462 (1971) Antimicrob Agents Chemother 37:384 PAZUFLOXACIN 163680-77-1; 127045-41- 3264 I18 01502319 antibacterial symthetic; T-3761 PAZUCROSS (1993); Chem Pharm Bull 42:2569 MESYLATE 4 (1994); Jpn J Antibiot 55:412 (2002) synthetic; RO-13- 3264 I20 01502302 LORNOXICAM analgesic, antiinflammatory XEFO Postgrad Med J 64:752 (1988) 70374-39-9 9297 Am Rev Respir Dis 141 Suppl,:A840 (1990);.Br J Pharmacol 112:795 3264 I22 01502311 MOGUISTEINE antitussive, non-narcotic synthetic 119637-67-1 (1994); J Pharm Pharmacol 48:112 (1996) Psychopharmacol Bull 26:147, 311 synthetic; MJ-1374- 3264 K04 01502314 antidepressant SERZONE (1990); N Engl J Med 342:1462 82752-99-6 HYDROCHLORIDE 1, BMY-1374 (2000) N Engl J Med 357:2001 (2007); Am J 3264 K06 01502325 PRASUGREL aggregation inhibitor synthetic EFFIENT Cardiovasc Drugs 9: 213 (2009); 150322-43-3 Drugs 69:707 (2009) semisynthetic; W- 3264 K08 01502330 estrogen ESTROVIS Chem Ind 1961:1037 152-43-2 3566 synthetic; EL-737, J Anim Sci 71:2439 (1993); 72:75 3264 K10 01502332 beta-adrenergic agonist, growth stimulant OPTAFLEXX 90274-24-1 HYDROCHLORIDE LYO-31537 (1994) synthetic; AGN- Lancet 365:947 (2005); J Clin 3264 K12 01502333 antiparkinsonian AZILECT 136236-51-6 1135 Pharmacol 45:878 (2005) 3264 K14 01502334 antiulcer synthetic; HOE-760 ROXIT Arzneim Forsch 35:703, 844 (1985); 93793-83-0 HYDROCHLORIDE Jpn J Pharmacol 52:35 (1990); J synthetic; AA-2414, 3264 K16 01502336 SERATRODAST Thx-antagonist, antiasthmatic, antiinflammatory BRONICA Allergy Clin Immunol 87:23 (1991); 112665-43-7 A-73001 Clin Pharmacol Ther 55:441 (1994) Biochim Biophys Acta 32:295 (1959); synthetic; Allergan- J Med Chem 6:428 (1963); Brit Med J 3264 K18 01502350 IDOXURIDINE antiviral DENDRID 54-42-2 211, SK&F-14287 2:989 (1964); Ann Surg Oncology 5:106 (1998) J Pharmacol 8:351 (1977); Biochem synthetic;MDL- 3264 K20 01502357 antihypertensive BRITLOFEX Pharmacol 28:141 (1979); Arzneim 21498-08-8 HYDROCHLORIDE 14042 Forsch 32:915, 955 (1982) Clin Infect Dis 33:1476 (2001)Chem RAMOPLANIN [A2 shown; Actinoplanes spp; 3264 K22 01502373 antibacterial Rev 105:449 (2005); Ann 76168-82-6 2mM] MDL-62198 Pharmacother 39:863 (2005) Drugs 55:729 (1998); J Am Med 3264 M04 01502410 ABACAVIR SULFATE antiviral synthetic ZIAGEN 188062-50-2 Assoc 285:1155 (2001) 3264 M06 01502414 BALSALAZIDE DISODIUM antiinflammatory synthetic; BX-661A COLAZAL 150399-21-6 CEFMENOXIME synthetic; Abbott- 3264 M08 01502422 antibacterial CEFMAX 75738-58-8 HYDROCHLORIDE 50192 Br J Pharmacol 98:1091 (1989); J FASUDIL synthetic; AT-877, 3264 M10 01502366 vasodilator (cerebral), Ca antagonist ERIL Neurosrg 76:571 (1992); Cardiovasc 103745-39-7 HYDROCHLORIDE HA-1077 Rev 10:333 (1992) semisynthetic; KW- Acupuncture & Electro-Therap Res 3264 M12 01502368 nootropic ACUTIL-S 2490-97-3 110 Intl J 17:61 (1992)

MSDiscovery1 Page 5 of 10 Created 9/2015 ICCB-L ICCB-L Vendor ID Compound Name Bioactivity Source TradeName References Cas # Plate Well

synthetic; NAD- J Clin Pharmacol 34:930 (1994); Pulm 3264 M14 01502328 PRULIFLOXACIN antibacterial QUISNON 123447-62-1 441A Pharmacol Ther 19:20, 30 (2006) PYRONARIDINE Lancet 347:24 (1996); J Antimicrob 3264 M16 01502329 antimalarial synthetic 76748-86-2 TETRAPHOSPHATE Chemother 37:511 (1996) RUFLOXACIN synthetic; MF-934, 21:106 (1993); Antimicrob 106017-08-7, 101363-10- 3264 M18 01502335 antibacterial TEBRAXIN HYDROCHLORIDE ISF-09334 Agents Chemother 37:2298 (1993) 4 Nature 316:126 (1985); Anticancer TROPISETRON 105826-92-4, 89565-68- 3264 M20 01502344 synthetic NAVOBAN Drugs 2:343 (1991); Ann Oncol 4 HYDROCHLORIDE 4 Suppl 3:S15 (1993) CR Seances Acad Sci Ser D 271:730 536-71-0; 908-54- 3264 M22 01502349 DIMINAZENE ACETURATE antiprotozoal as aceturate synthetic BERENIL (1970); 3:34 (1975) 3(aceturate) Chem Pharm Bull 35:3270, 4117 LOMERIZINE antimigraine, cerebral vasodilator, Ca channel (1987); Arch Int Pharmacodyn 3264 O04 01502303 synthetic; KB-2796 TERRANAS 101477-55-8 HYDROCHLORIDE blocker 304:206 (1990); Neurochem Res 19:1503 (1994) synthetic; SKF- 3264 O06 01506027 OXOLAMINE CITRATE antitussive 959-14-8 (base) 9976, AF-438 Chrysanthemum cinerariaefolium [R J Chem Soc(C) 1966:332; Chem 3264 O08 00330068 insecticide, Na channel toxin DRIONE 121-21-1 = COOMe and R = Commun 1972:1276 Me] 3264 O10 01506049 meta-CRESYL ACETATE antiseptic (topical) synthetic 122-46-3 MAO-A inhibitor, antidepressant, synthetic; M&B- 3264 O12 01506065 J Neural Transm Suppl. 52:39 (1998) 17780-72-2 (base) HYDROCHLORIDE antiparkinsonian 9302 MOROXYDINE synthetic; SKF- Acta Derm Venereol Suppl (Stockh) 3264 O14 01506078 antiviral 3731-59-7 HYDROCHLORIDE 8898A, ABOB 183:1 [1994] J Clin Invest 57:1644 (1976); J Clin 3264 O16 01506100 PENTAGASTRIN gastric secretion indicator synthetic; ICI-50123 PEPTAVLON Endocrin Metab 78:114 (1994) ; Exp 5534-95-2 Physiol 91.:977 (2006) Acta Pharmacologica Toxicologica 51: synthetic; Abbott- 3264 O18 01506101 PROTIRELIN prothyrotropin THYPINONE 250 (1982); Brain Res 1054:45 24305-27-9 38579 (2005); N Engl J Med 356:2349 (2007); 3264 O20 01506180 EPRODISATE DISODIUM amyloidosis therapy synthetic; NC-503 357:1153 (2007); BMJ 334:1245 36589-58-9 (2007) synthetic; RO-14- Clin Exp Dermatol 17 Suppl 1:1 78613-38-4, 78613-35- 3264 O22 01502371 antimycotic LOCERYL HYDROCHLORIDE 4767 (1992); Drugs 49:103 (1995) 1(base) synthetic; NFS- 3264 B03 01506177 ISOVALERAMIDE anticonvulsant, antimigraine, analgesic 541-46-8 1776 3264 B05 01506181 IMEXON antineoplastic synthetic AMPLIMEXON 59643-91-3 3264 B07 01506186 CINOCTRAMIDE synthetic 28598-08-5 3264 B09 01506183 MEGLUTOL antihyperlipoproteinemia synthesis; CB-337 503-49-1 Agents Actions 11:741 (1981); J Int 3264 B11 01506190 TIOPRONIN hepatoprotectant, mucolytic synthetic ACADIONE Med Res 10:325 (1982); Arthritis 1953-02-2 Rheum 25:698, 923 (1982) Surg Gynecol Obstet 89:692 (1949); 3264 B13 01506191 TOLONIUM CHLORIDE hemostatic synthetic; TOLAZUL Stanford Med Bull 9:96 (1951); J Am 92-31-9 Dent Assoc 106:319 {1983) TROCLOSENE 3264 B15 01506193 antiinfective synthetic; ACL-59 ACCEPTA 8505 J Org Chem 25:1595 (1960) 2244-21-5 POTASSIUM Toxicology. 3rd ed. Wiley , NY 1981- 1982, 2768; Sax's Dangerous synthetic; NSC- 3264 B17 01506189 SYMCLOSENE anti-infective CLORINE Properties of Industrial Materials. 11th 87-90-1 405124 Edition. Wiley-Interscience, Hoboken, NJ. 2004.,3530 3264 B19 01506170 ETHANOLAMINE OLEATE sclerosing agent synthetic ETHAMOLIN 2272-11-9

MSDiscovery1 Page 6 of 10 Created 9/2015 ICCB-L ICCB-L Vendor ID Compound Name Bioactivity Source TradeName References Cas # Plate Well J Pharmacol Exp Ther 275:101 synthetic; CP-88, 3264 B21 01503850 ZIPRASIDONE MESYLATE antipsychotic GEODON (1995); Clin Neuropharmacol 28:83 199191-69-0 059-27 (2005) VALGANCICLOVIR synthetic; RS- Clin Pharmacokinet 37:167 (1999);N 3264 D03 01503870 antiviral VALCYTE 175865-59-5 HYDROCHLORIDE 079070-194 Engl J Med 346:1119 (2002) 3264 D05 01503875 antiseborrheic synthetic OCTOPIROX J Soc Cosmet Chem 32:327 (1981) 68890-66-4 3264 D07 01503831 antagonist synthetic; ZK-30595 67392-87-4 ECAMSULE 3264 D09 01503832 sunscreen synthetic 92761-26-7 TRIETHANOLAMINE synthetic; SQ- 3264 D11 01503834 paramagnetic agent PROHANCE 120066-54-8 32692 3264 D13 01503836 IOTHALAMIC ACID radiopaque agent synthetic; MI-216 CONRAY 2276-90-6 3264 D15 01503838 radiopaque agent synthetic OXILAN 107793-72-6 synthetic; WIN- 3264 D17 01503840 paramagnetic agent TESLASCAN 140678-14-4 TRISODIUM 59010 synthetic; NSC- 3264 D19 01503841 METHYCLOTHIAZIDE antihypertensive ENDURON 135-07-9 110431 synthetic; BIRG- 3264 D21 01503842 NEVIRAPINE antiviral, RT inhibitor VIRAMUNE 129618-40-2 0587 ACETOPHENAZINE synthetic; SCH- Am J Psychiatry 118:358 (1961); Arch 3264 F03 01503860 antipsychotic TINDAL 5714-00-1 MALEATE 6673 Gen Psychiatry 24:273 (1971) synthetic; SCH- 3264 F05 01503862 AZATADINE MALEATE H1-antihistamine OPTIMINE 3978-86-7 10649 synthetic; BEMT, 3264 F07 01503863 BEMOTRIZINOL sunscreen TINOSORB S 187393-00-6 FAT-70884 synthetic; MBBT, 3264 F09 01503866 BISOCTRIZOLE sunscreen TINOSORB M 103597-45-1 FAT-75634 synthetic; NSC- 3264 F11 01503867 CANDICIDIN antifungal VANOBID 1403-17-4 94219 synthetic; WY- 3264 F13 01503869 CEFPIRAMIDE antibacterial CEFPIRAN 70797-11-4 44635 3264 F15 01502376 ADAPALENE anti-acne synthetic; CD-271 DIFFERIN 106685-40-9 Arzneim Forsch 47:904 (1997); 3264 F17 01502374 PITAVASTATIN HMGA reductase inhibitor synthetic LIVALO Cardiovasc Drug Rev 21:199 (2003); 147511-69-1 Int J Clin Pract 59:239 (2005) 3264 F19 01502387 LUMIRACOXIB antiinflammatory, analgesic, antiarthritic synthetic; COX-189 PREXIGE 220991-20-8 DAPTOMYCIN (5 synthetic; LY- 3264 F21 01502379 antibacterial CUBICIN 103060-53-3 millimolar/DMSO) 146032 synthetic; WAY- Drugs 65:1317 (2005); Expert Opin 3264 H03 01502394 TIGECYCLINE antibacterial TYGACIL 220620-09-7 GAR-936 Invest Drugs 15:155 (2006) Biochem Biophys Res Commun 3264 H05 01502393 TENOFOVIR antiviral, RT inhibitor synthetic; GS-1278 VIREAD 219:337 (1996); JAMA 292:191 206184-49-8 (2004) synthetic; LY- 3264 H07 01502390 PEMETREXED antineoplastic, thymidylate synthase inhibitor ALIMTA 137281-23-3 231514 3264 H09 01502389 OLSALAZINE SODIUM antiinflammatory synthetic; CJ-91B AZODISAL SODIUM 6054-98-4 MANIDIPINE 3264 H11 01502388 antihypertensive synthetic; CV-4093 CALSLOT 89226-75-5 HYDROCHLORIDE synthetic; RO-22- 3264 H13 01502384 ESTRAMUSTINE antineoplastic 2998-57-4 2296 synthetic; DL-458- 3264 H15 01502380 DEFLAZACORT antiinflammatory CALCORT 14484-47-0 IT, MDL-458 3264 H17 01505770 FURALTADONE antibacterial synthetic; NF-260 139-91-3 Arnzneim Forsch 15:727 (1965); 3264 H19 01505772 BUCETIN analgesic synthetic Chem Pharm Bull 16:1726, 2269 1083-57-4 (1968) LEVALBUTEROL 3264 H21 01505811 , tocolytic synthetic XOPENEX 50293-90-8 HYDROCHLORIDE MSDiscovery1 Page 7 of 10 Created 9/2015 ICCB-L ICCB-L Vendor ID Compound Name Bioactivity Source TradeName References Cas # Plate Well PHTHALYLSULFACETAMID 3264 J03 01505728 antibacterial synthetic TALSIGEL J Indian Chem Soc 26:130 (1949) 131-69-1 E Alstonia 3264 J05 01502553 CINTRIAMIDE antipsychotic JAMA 186:1082 (1963) 5588-21-6 lenorrmandii J Steroid Biochem Mol Biol 75:1 3264 J07 01505713 glucocortcoid, antiinflammatory semisynthetic FORMULA-405 (2000); African J Pharmacy 4598-67-8 SUCCINATE Pharmacol 3:234 (2009) Ther Drug Monit 2:169 (1980); Anal SODIUM 3264 J09 01505712 antiinflammatory, glucocorticoid semisynthetic HYDELTRASOLE Profiles Drug Subs Excip 21:415 125-02-0 PHOSPHATE (1992) Pharmacol Biochem Behav 32:607 3264 J11 01505711 ACAMPROSATE CALCIUM antagonist synthetic CAMPRAL (1989); Lancet 1:1014 (1985); CNS 77337-73-6 Drugs 19:445, 517 (2005) widespread in 3264 J13 01300010 ammonia detoxicant, diagnostic aid 1119-34-2 HYDROCHLORIDE nature semisynthetic; HOE- Arzneim Forsch 24:1, 3 (1974); Drugs 3264 J15 01505722 DESOXYMETASONE antiinflammatory 304, R-2113, A-41- TOPICORT 16:302 (1978) 304 3264 J17 01506187 OCTOCRYLENE sunscreen synthetic 6197-30-4 semisynthetic; D- 3264 J19 01505726 DESONIDE antiinflammatory, glucocorticoid DESOWEN 638-94-8 2083 semisynthetic; HOE- Arzneim Forsch 24:1, 3 (1974); Drugs 3264 J21 01505722 DESOXYMETASONE antiinflammatory 304, R-2113, A-41- TOPICORT 382-67-2 16:302 (1978) 304 JACS 49:1594 (1927); Food Cosmet 3264 L03 01505751 ERYTHROSINE SODIUM color additive synthetic 16423-68-0 Toxicol 14:525 (1976) TETRAMIZOLE synthetic; R-8299, Nature 209:1084 (1966); Brit Med J 3264 L05 01505679 anthelmintic ANTHELVET 5086-74-8 HYDROCHLORIDE McN-JR-8299-11 4:93 (1968) OXIGLUTATIONE 103239-24-3; 27025-41- 3264 L07 01300019 antioxidant synthetic DISODIUM SALT 8(acid) synthetic; BRL- Clin Pharmacol Ther 17:441 (1975); 3264 L09 01505678 TICARCILLIN DISODIUM antibacterial TICAR 4697-14-7 2288 Drugs 20:325 (1980) synthetic; FC- Drugs 54:141 (1997); Drugs Aging 3264 L11 01505682 TOREMIPHENE CITRATE antineoplastic, anti-estrogen FARESTON 89778-27-8 1157a 11:261 (1997) Eur J Pharmacol 11:139 (1970); Br synthetic; McN-JR- 3264 L13 01505691 PENFLURIDOL antipsychotic SEMAP Med J 2:710 (1971); J Clin Pharmacol 26864-56-2 16341, R-16341 17:252 (1977) 3264 L15 01505850 AMPYZINE SULFATE CNS stimulant synthetic; W-3580B 7082-29-3 Streptomyces J Antibiot 44:357 (1991); Res Vet Sci 3264 L17 01505902 DORAMECTIN endoparasitic avermitilis; UK- DECTOMAX 117704-25-3 75:217 (2003) 67994 LEVOCETIRIZINE 3264 L19 01504914 H1 antihistamine, antiallergic synthetic XYZAL 130018-77-8 (base) DIHYDROCHLORIDE OSELTAMIVIR synthetic; Ro-64- N Engl J Med 353:2667 (2005); 3264 L21 01504912 antiviral TAMIFLU 196618-13-0 PHOSPHATE 0796/002 Lancet 369:1056 (2007) CLINAFOXACIN 3264 N03 01504834 antibacterial synthetic; CI-960 38:92 (1992) 105956--99-8 HYDROCHLORIDE CEFTIOFUR semisynthetic; U- 3264 N05 01504832 antibacterial EXCENEL Am J Vet Res 48:1050 (1987) 80370-57-6 HYDROCHLORIDE 64279 Int J Dermatol 24:603 (1985); Crit Rev synthetic; FMC- Toxicol 21:105 (1990); Mutag 7:433 3264 N07 01504932 ectoparasiticide, CNS stimuant, mutagen 33297, NRDC-143, VECTRA-3D 52341-33-0, 52645-53-1 (1992); J Reform 18:14 UNII-509F88P9SZ (1998) molt inhibitor, chitin synthesis inhibitor; synthetic; CGA- 3264 N09 01505355 LUFENURON PROGRAM Pakistan J Biol Sci 6:1125 (2003) 103055-07-8 insecticide 184699 semisynthetic; R- 3264 N11 01505779 DICHLORISONE ACETATE antipruretic DILODERM JACS 81:2191 (1959) 79-61-8 25788 3264 N13 01504508 CINCHOPHEN analgesic, antipyretic, antiinflammatory synthetic ATOPHAN Cal West Med 37:405 (1932) 132-60-5

MSDiscovery1 Page 8 of 10 Created 9/2015 ICCB-L ICCB-L Vendor ID Compound Name Bioactivity Source TradeName References Cas # Plate Well Austral J Chem 27:2385 (1974); 3264 N15 01504501 beta-NAPHTHOL anthelmintic, antiseptic synthetic MICROCIDIN 135-19-3 Tetrahedron Letts 31:6977 (1990) 3264 N17 01504504 CARSALAM analgesic synthetic 2037-95-8 3264 N19 01504506 CHLORAMINE-T antiseptic, disinfestant, antiproliferative synthetic CHLORAMINE 127-65-1 Aneth Analg 66:769 (1987); 3264 N21 01503680 anesthetic synthetic; MR-6-S4 ULTANE Anesthesiology 66:301 (1987); 70:360 28523-86-6 (1989) Scan J Clin Lab Invest14:605 (1962); synthetic; CI-23860, Eur J Periatr 125:135 (1977); J 3264 P03 01300017 EVANS BLUE glutamate uptake inhibitor, AMPA blocker 314-13-6 T-1824 Neurochem 65:96 (1995); Mol Pharmacol 50:1665 (1997) synthetic; BMS- 3264 P05 01506202 AMMONIUM LACTATE JACS 75:1242 (1953) 52003-58-4 186091 3264 P07 01506184 DOCUSATE SODIUM stool softener synthetic RECTILAD 577-11-7 3264 P09 01502510 BORNYL ACETATE flavor, fragrance agent semisynthetic 76-49-3 synthsis; BMS- Diabetes Care 32:1649 (2009); Br J 3264 P11 01502500 SAXAGLIPTIN antidiabetic, dipeptidyl peptidase–4 inhibitor ONGLYZA 945667-22-1 477118 Diabetes Vasc Disease 10:14 (2010) Biopharmaceut Drug Dispo synthetic; BMS- 3264 P13 00212037 skin depigmentor 20:301–308 (1999); J Am Acad 150-76-5 181158 Dermatol 42,:459 (2000) 3264 P15 01504511 anesthetic synthetic 158-79-93-3 3264 P17 01504512 DEFERIPRONE iron chelating agent synthetic; L-1 30652-11-0 3264 P19 01505448 NITHIAMIDE antibacterial synthetic; CI-5279 140-40-9 3264 P21 01505443 METHSUXIMIDE anticonvulsant synthetic CELONTIN 77-41-8 Hypertension 30:912 (1997); J Thorac 3264 B04 01505455 QUINAPRILAT antihypertensive, ACE inhiibitor synthetic; CI-928 85441-60-7 Cardiovasc Surg 124:352 (2002)

BETAXALOL synthetic; SL-75212- 3264 B06 01505512 antihypertensive, beta-blocker, BETOPTIC 63659-19-8 HYDROCHLORIDE 10, ALO-1401-02 ERYTHROMYCIN Streptomyces 643-22-1; 114-07- 3264 B08 01500281 antibacterial ERYTHROCIN STEARATE erythreus 8(base) J Med Chem 23:973 (1980); Clin synthetic; SK&F- 3264 B10 01505539 FENOLDIPAM MESYLATE antihypertensive, dopamine agonist CORLOPAM Pharmacol Ther 34:309 (1983); Am 67227-57-0 82526-J Heart J 116:473 (1988) Ann 180:71 (1876); 230:225 (1885); J 3264 B12 01506188 TERPENE HYDRATE expectorant Pinus spp 2451-01-6 Chem Soc 127:1632 (1925) SODIUM J Peridontal Res 4:103 (1969); Annals 3264 B14 01506192 MONOFLUOROPHOSPHAT dental carries prophylactic synthetic 10163-15-2 Intern Med 129:1 (1998) E 3264 B16 01502555 BENZYL ALCOHOL antimicrobial synthetic 100-51-6 mushrooms, grains, 3264 B18 01300022 cholinergic Pharmazie 3:5 (1948) 50-01-1 HYDROCHLORIDE earthworms Mol Pharm 21:594 (1982); Eur J Pharmacol 238:343 (1993); J 3264 B20 01501124 ACECLIDINE muscarinic ACh agonist, antiglaucoma synthetic GLAUCOSTAT 827-61-2 Pharmacol Exp Ther 279:1335 (1996)) Angewandte Chem IntL Ed 12:869 3264 B22 01506104 ACESULFAME POTASSIUM sweetener synthetic SUNETT (1973); 37:1802 (1998); Horm Metab 55589-62-3 Res 19:233 (1987) 3264 D04 01506164 IDRAMANTONE anthelmintic synthetic 20098-14-0 3264 D06 01506103 ALLYLISOTHIOCYANATE counterirritant Brassica nigra 57-06-7 3264 D08 01506196 ISOBUTAMBEN anesthetic (topical) synthetic 94-14-4 3264 D10 01506162 anesthetic synthetic FLUOROMAR 406-90-6 synthetic; NSC- 3264 D12 01505462 SULISOBENZONE ultraviolet screen SUNGARD J Invest Dermatol 34:51 (1960) 4065-45-6 60584 synthetic; AZL-O- 3264 D14 01506154 DIMETHYL FUMARATE immunomodulator 624-49-7 211089

MSDiscovery1 Page 9 of 10 Created 9/2015 ICCB-L ICCB-L Vendor ID Compound Name Bioactivity Source TradeName References Cas # Plate Well J Clin Pharmacol 4: 86, 288 (1964); 3264 D16 01506123 MODALINE SULFATE antidepressant, antisecretory synthetic; W-3207B Psychosomatics 1965 6:1 (1965); 2856-75-9 Biochem Pharmacol 15:1309 (1966) J Pharmacol Exp Therap 132:295 3264 D18 01506157 analeptic synthetic NIKETHYL 59-26-7 (1961); JAMA 185:69 (1963) Can Res 61:8492 (2001); J Clin Oncol 3264 D20 01502267 VORINOSTAT antineoplastic, histone deacetylase inhibitor synthetic ZOLINZA 149647-78-9 23:3923 (2005) semisynthetic; YTR- Antimicrob Agents Chemother 29:960 3264 D22 01502341 TAZOBACTAM b-lactamase inhibitor TAZOCIN 89786-04-9 830H (1986); J Med Chem 30:1469 (1987) synthetic; RP- Int J Clin Psychopharmacol 5:147 138729-47-2, 43200-80- 3264 F04 01503425 hypnotic, sedative LUNESTA 27267 (1990); Drugs 55:277 (1998) 2 semisynthetic; BDH- MELENGESTROL 3264 F06 01505727 antineoplastic, progestin 1921, 5373, NSC- 2919-66-6 ACETATE 70968 semisynthetic; 3264 F08 01505740 LIPOAMIDE hepatoprotectant 3206-73-3 thioctic acid amide 3264 F10 01401414 CRESOPIRINE antiinflammatory, antpyretic synthetic 4386-39-4 3264 F12 01502412 ACEDOBEN immune stimulant (component) synthetic IMUNOVIR Arch Dermatol 119:463 (1983) 556-08-1 3264 F14 01503875 PIROCTONE OLAMINE antiseborrheic synthetic OCTOPIROX J Soc Cosmet Chem 32:327 (1981) 68890-66-4 DESVENLAFAXINE synthetic; WY- J Clin Psychiatry 68:677 (2007); Int 3264 F16 01504280 antidepressant PRISTIQ 93413-62-8 SUCCINATE 45233 Clin Psychopharmacol 22:338 (2007) LEVOCARNITINE carnitine replenisher in peripheral arterial 3264 F18 01505730 PROPIONATE synthetic; ST-261 DROMOS 119793-66-7 disease HYDROCHLORIDE DILAZEP 3264 F20 01502263 vasodilator, platelet aggregation inhibitor synthetic 35898-87-4 DIHYDROCHLORIDE 3264 F22 01502382 EPRINOMECTIN antiparasitic synthetic; MK-397 EPRINEX 123997-26-2

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