TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T19160 Group IIA phospholipase A2 D09JUG Zileuton Approved 60490 C11H12N2O2S 236.29 CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O IC50 > 1000000 nM Non binder T19160 Group IIA phospholipase A2 B0OR7V 4-[4-[2,4-Dihydroxy-3,6-dimethyl-5-[(1-phenylethylamino)methyl]benzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid Investigative 76331562 C38H41NO10 671.7 CC1=C(C(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C(=C(C(=C3C)CNC(C)C4=CC=CC=C4)O)C)O)C)O)C IC50 = 1800000 nM Non binder T19160 Group IIA phospholipase A2 B0V1FY 2-[[(2R)-2-[[2-[[5-(2-Benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid Investigative 71716414 C25H30N10O6S 598.6 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CC(=NN3)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)O IC50 = 217000 nM Non binder T19160 Group IIA phospholipase A2 B1AZ7W 4-[4-[2,4-Dihydroxy-3,6-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]benzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid Investigative 122197355 C38H41NO10 671.7 CC1=C(C(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C(=C(C(=C3C)CN[C@@H](C)C4=CC=CC=C4)O)C)O)C)O)C IC50 = 840000 nM Non binder T19160 Group IIA phospholipase A2 B2Q5DL Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenoxy]carbonyl]-4-methoxyphenyl] sulfoxide Investigative 10843834 C60H62O19S 1119.2 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C=CC(=C3)S(=O)C4=CC(=C(C=C4)OC)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)OC6=C(C(=C(C(=C6C)C)C(=O)O)OC)C)OC)C)OC)C)OC)C IC50 = 260000 nM Non binder T19160 Group IIA phospholipase A2 B43FIH 4-[4-[5-[[5-[4-(4-Carboxy-3-hydroxy-2,5,6-trimethylphenoxy)carbonyl-3-hydroxy-2,5,6-trimethylphenoxy]carbonyl-2,4-dihydroxy-3,6-dimethylphenyl]methyl]-2,4-dihydroxy-3,6-dimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid Investigative 16144962 C59H60O20 1089.1 CC1=C(C(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C(=C(C(=C3C)CC4=C(C(=C(C(=C4O)C)O)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)OC6=C(C(=C(C(=C6C)C)C(=O)O)O)C)O)C)C)O)C)O)C)O)C IC50 = 2400000 nM Non binder T19160 Group IIA phospholipase A2 B62ARO 4-[5-[[5-(4-Carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl-2,4-dimethoxy-3,6-dimethylphenyl]methyl]-2,4-dimethoxy-3,6-dimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid Investigative 10509638 C45H52O14 816.9 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)CC3=C(C(=C(C(=C3OC)C)OC)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)O)OC)C)C)OC)C)OC)C IC50 = 2800000 nM Non binder T19160 Group IIA phospholipase A2 B6J3WN (Z)-1-(4-Fluorophenyl)-3-[cyclohexyl(hydroxy)amino]-2-propen-1-one Investigative 9992927 C15H18FNO2 263.31 C1CCC(CC1)N(/C=C\\C(=O)C2=CC=C(C=C2)F)O IC50 > 1000000 nM Non binder T19160 Group IIA phospholipase A2 B8O1RA Bis[3-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)-carbonyl]-4-methoxyphenyl]ether Investigative 10723410 C38H38O13 702.7 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C=CC(=C2)OC3=CC(=C(C=C3)OC)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)O)OC)C)OC)C IC50 = 75000000 nM Non binder T19160 Group IIA phospholipase A2 B8OY7V Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)-carbonyl]-4-methoxyphenyl]sulfide Investigative 10842569 C38H38O12S 718.8 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C=CC(=C2)SC3=CC(=C(C=C3)OC)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)O)OC)C)OC)C IC50 = 4800000 nM Non binder T19160 Group IIA phospholipase A2 B94EXR (Z)-1-(4-Fluorophenyl)-3-[benzyl(acetyloxy)amino]-2-propen-1-one Investigative 10018456 C18H16FNO3 313.3 CC(=O)ON(CC1=CC=CC=C1)/C=C\\C(=O)C2=CC=C(C=C2)F IC50 > 1000000 nM Non binder T19160 Group IIA phospholipase A2 BB6Q2A Succinic acid bis[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenyl] ester Investigative 44365927 C48H54O16 886.9 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)CCC(=O)OC3=C(C(=C(C(=C3C)C)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)O)OC)C)OC)C)C)OC)C IC50 = 940000 nM Non binder T19160 Group IIA phospholipase A2 BBK08D 2-[[5-(2-Benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid Investigative 71719460 C17H15N5O4S 385.4 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CC(=NN3)C(=O)NCC(=O)O IC50 = 241000 nM Non binder T19160 Group IIA phospholipase A2 BD48KF 2-Methoxy-4-[2-methoxy-4-[2-methoxy-5-(4-methoxyphenyl)sulfanylbenzoyl]oxy-3,5,6-trimethylbenzoyl]oxy-3,5,6-trimethylbenzoic acid Investigative 44365796 C37H38O10S 674.8 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C=CC(=C3)SC4=CC=C(C=C4)OC)OC)C)OC)C IC50 = 4100000 nM Non binder T19160 Group IIA phospholipase A2 BI8OP5 Isophthalic acid bis[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenyl] ester Investigative 44365929 C52H54O16 935 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=CC(=CC=C3)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)O)OC)C)OC)C)C)OC)C IC50 = 230000 nM Non binder T19160 Group IIA phospholipase A2 BJ4IH8 4-[4-[6-[4-(4-Carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl-3-methoxy-2,5,6-trimethylphenoxy]carbonyl-4-oxopyran-2-carbonyl]oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid Investigative 44365928 C51H52O18 952.9 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=CC(=O)C=C(O3)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)O)OC)C)OC)C)C)OC)C IC50 = 5800000 nM Non binder T19160 Group IIA phospholipase A2 BJK6N0 (2R)-2-[[2-[[5-(2-Benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid Investigative 71718857 C23H27N9O5S 541.6 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CC(=NN3)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)O IC50 = 262000 nM Non binder T19160 Group IIA phospholipase A2 BME94Y Phosphoric acid (R)-2-acetylamino-9-hydroxy-nonyl ester methyl ester Investigative 44322593 C12H26NO6P 311.31 CC(=O)N[C@H](CCCCCCCO)COP(=O)(O)OC IC50 = 350000 nM Non binder T19160 Group IIA phospholipase A2 BNF6C7 Thielocin A1 Investigative 10865991 C54H60O18 997 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C([C@@](C4([C@](C3=O)(CC5=C(C(=C(C(=C5O4)C)OC)C(=O)OC6=C(C(=C(C(=C6C)C)C(=O)O)OC)C)C)C)O)(C)O)C)C)OC)C IC50 = 12000000 nM Non binder T19160 Group IIA phospholipase A2 BR12WH (Z)-1-(4-Fluorophenyl)-3-[benzyl(hydroxy)amino]-2-propen-1-one Investigative 10061734 C16H14FNO2 271.29 C1=CC=C(C=C1)CN(/C=C\\C(=O)C2=CC=C(C=C2)F)O IC50 > 1000000 nM Non binder T19160 Group IIA phospholipase A2 BSDN30 (Z)-1-(4-Fluorophenyl)-3-[benzyl(methoxy)amino]-2-propen-1-one Investigative 10424056 C17H16FNO2 285.31 CON(CC1=CC=CC=C1)/C=C\\C(=O)C2=CC=C(C=C2)F IC50 > 1000000 nM Non binder T19160 Group IIA phospholipase A2 BVJ81K 4-[4-[5-[(2,4-Dimethoxy-3,6-dimethylphenyl)methyl]-2,4-dimethoxy-3,6-dimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid Investigative 122197356 C44H52O12 772.9 CC1=CC(=C(C(=C1CC2=C(C(=C(C(=C2OC)C)OC)C(=O)OC3=C(C(=C(C(=C3C)C)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)O)OC)C)OC)C)C)OC)C)OC IC50 = 3000000 nM Non binder T19160 Group IIA phospholipase A2 BWCB59 Fumaric acid bis[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenyl] ester Investigative 44365795 C48H52O16 884.9 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)/C=C/C(=O)OC3=C(C(=C(C(=C3C)C)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)O)OC)C)OC)C)C)OC)C IC50 = 2200000 nM Non binder T19160 Group IIA phospholipase A2 BZ72GC 4-[4-[5-[3-[4-(4-Carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl-3-methoxy-2,5,6-trimethylphenoxy]carbonyl-4-methoxy-5-methylphenoxy]-2,4-dimethoxybenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid Investigative 16157140 C62H66O20 1131.2 CC1=CC(=CC(=C1OC)C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=C(C(=C(C(=C3C)C)C(=O)O)OC)C)OC)C)OC4=C(C=C(C(=C4)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)OC6=C(C(=C(C(=C6C)C)C(=O)O)OC)C)OC)C)OC)OC IC50 = 240000 nM Non binder T19160 Group IIA phospholipase A2 D0O2DQ Mepacrine Investigative 237 C23H30ClN3O 400 CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC IC50 = 76000000 nM Non binder T19160 Group IIA phospholipase A2 D0P1LP PHENIDONE Investigative 7090 C9H10N2O 162.19 C1CN(NC1=O)C2=CC=CC=C2 IC50 > 1000000 nM Non binder