TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T03691 Leukotriene A-4 hydrolase D09JUG Zileuton Approved 60490 C11H12N2O2S 236.29 CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase D00QOF ORG-13011 Phase 2 44473151 C38H43N3O4S 637.8 CCOC1=NC=C(C=C1)C2=CC=C(C=C2)CN3C4=C(C=C(C=C4)OCC5=NC=C(C=C5)C)C(=C3CC(C)(C)C(=O)O)SC(C)(C)C IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase D0C0JT Nimesulide Withdrawn from market 4495 C13H12N2O5S 308.31 CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase B0TJ4F N-(Methylsulfonyl)-N-(3-(4-(2-(pyrrolidin-1-yl)ethoxy)phenoxy)-phenyl)methanesulfonamide Investigative 49805305 C20H26N2O6S2 454.6 CS(=O)(=O)N(C1=CC(=CC=C1)OC2=CC=C(C=C2)OCCN3CCCC3)S(=O)(=O)C IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase B1UJS2 2-[5-[2-(4-Phenoxyphenoxy)ethoxy]-1H-indol-3-yl]ethylcarbamic acid Investigative 71716159 C25H24N2O5 432.5 C1=CC=C(C=C1)OC2=CC=C(C=C2)OCCOC3=CC4=C(C=C3)NC=C4CCNC(=O)O IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase B28DPV (1S,6R)-3-Methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol Investigative 134131352 C15H26O2 238.37 CC1=CC[C@@H]([C@@H](C1O)O)C(C)CCC=C(C)C IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase B2WG3A 2-[5-[2-[4-(4-Nitrophenoxy)phenoxy]ethoxy]-1H-indol-3-yl]ethanamine;hydrochloride Investigative 71568934 C24H24ClN3O5 469.9 C1=CC(=CC=C1[N+](=O)[O-])OC2=CC=C(C=C2)OCCOC3=CC4=C(C=C3)NC=C4CCN.Cl IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase B3MEY9 2-(4-(2-(Pyrrolidin-1-yl)ethoxy)phenoxy)pyrazine Investigative 49805055 C16H19N3O2 285.34 C1CCN(C1)CCOC2=CC=C(C=C2)OC3=NC=CN=C3 IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase B3Z2VD 2-[5-(Naphthalen-1-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride Investigative 71568930 C21H21ClN2O 352.9 C1=CC=C2C(=C1)C=CC=C2COC3=CC4=C(C=C3)NC=C4CCN.Cl IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase B47MDV 3-[[(2S,3S)-2-Hydroxy-3-amino-4-phenylbutanoyl]amino]propanoic acid Investigative 10264885 C13H18N2O4 266.29 C1=CC=C(C=C1)C[C@@H]([C@@H](C(=O)NCCC(=O)O)O)N IC50 ~ 80000 nM Poor binder T03691 Leukotriene A-4 hydrolase B48VCJ (5S,7S)-7-Amino-5-benzylsulfanyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride Investigative 66560596 C18H20ClNOS 333.9 C1CC2=CC=CC=C2[C@@H](C(=O)[C@H]1N)SCC3=CC=CC=C3.Cl Ki ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase B4EW3S N-Methyl-N-(2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenoxy)phenyl)methanesulfonamide Investigative 49805307 C20H26N2O4S 390.5 CN(C1=CC=CC=C1OC2=CC=C(C=C2)OCCN3CCCC3)S(=O)(=O)C IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase B4S0GK Pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone Investigative 44221318 C18H20N2O2 296.4 C1CCN(C1)CCOC2=CC=C(C=C2)C(=O)C3=CC=NC=C3 IC50 = 199000 nM Poor binder T03691 Leukotriene A-4 hydrolase B5FLI3 4-(3,4-Dimethoxyphenyl)butan-2-one Investigative 237561 C12H16O3 208.25 CC(=O)CCC1=CC(=C(C=C1)OC)OC IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase B5L0IR (5R,7S)-7-Amino-5-(2-phenylethyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride Investigative 66560604 C19H22ClNO 315.8 C1CC2=CC=CC=C2[C@H](C(=O)[C@H]1N)CCC3=CC=CC=C3.Cl Ki ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase B6Q7LU 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one Investigative 5275725 C19H30O4 322.4 CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase B6S0TN (S)-2-[[(2R,3S)-2-Hydroxy-3-amino-4-phenyl-1-thioxobutyl]amino]-4-methylpentanoic acid Investigative 44310089 C16H24N2O3S 324.4 CC(C)C[C@@H](C(=O)O)NC(=S)[C@@H]([C@H](CC1=CC=CC=C1)N)O IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase B6ZS8U 5-Hydroxy-1-[4-hydroxy-3-[2-hydroxy-5-(5-hydroxy-3-oxodecyl)-3-methoxyphenyl]-5-methoxyphenyl]decan-3-one Investigative 134130915 C34H50O8 586.8 CCCCCC(CC(=O)CCC1=CC(=C(C(=C1)OC)O)C2=C(C(=CC(=C2)CCC(=O)CC(CCCCC)O)OC)O)O IC50 = 77820 nM Poor binder T03691 Leukotriene A-4 hydrolase B7ML3F N-(Methylsulfonyl)-N-(2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenoxy)phenyl)methanesulfonamide Investigative 49805304 C20H26N2O6S2 454.6 CS(=O)(=O)N(C1=CC=CC=C1OC2=CC=C(C=C2)OCCN3CCCC3)S(=O)(=O)C IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase B7WBE6 Methyl (2S,3S)-3-amino-2-hydroxy-4-phenylbutanoate Investigative 11128579 C11H15NO3 209.24 COC(=O)[C@H]([C@H](CC1=CC=CC=C1)N)O Ki = 50000 nM Poor binder T03691 Leukotriene A-4 hydrolase B82YXZ 3-(3-Amino-2-hydroxy-4-phenyl-butyrylamino)-propionic acid Investigative 15011209 C13H18N2O4 266.29 C1=CC=C(C=C1)C[C@H]([C@@H](C(=O)NCCC(=O)O)O)N IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase B90AZM 1-(2-(4-(2-(Methylsulfonyl)phenoxy)phenoxy)ethyl)pyrrolidine Investigative 49805051 C19H23NO4S 361.5 CS(=O)(=O)C1=CC=CC=C1OC2=CC=C(C=C2)OCCN3CCCC3 IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase B9AW4O 1-(3,4-Dimethoxyphenyl)-5-methoxydecan-3-one Investigative 91721119 C19H30O4 322.4 CCCCCC(CC(=O)CCC1=CC(=C(C=C1)OC)OC)OC IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BB42OT Glycine, N-[(1-amino-2-phenylethyl)hydroxyphosphinyl]- Investigative 11777264 C10H15N2O4P 258.209 C1=CC=C(C=C1)CC(N)P(=O)(NCC(=O)O)O IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BC6L0T 3-Amino-2-oxo-4-phenyl-butyric acid methyl ester Investigative 10104462 C11H13NO3 207.23 COC(=O)C(=O)[C@H](CC1=CC=CC=C1)N IC50 = 80000 nM Poor binder T03691 Leukotriene A-4 hydrolase BD27MZ 1-(2-(4-(4-(Methylsulfonyl)-2-nitrophenoxy)phenoxy)ethyl)pyrrolidine Investigative 49805054 C19H22N2O6S 406.5 CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)OCCN3CCCC3)[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BE7PD5 1-(2-(4-(2,4-Dinitrophenoxy)phenoxy)ethyl)pyrrolidine Investigative 49804920 C18H19N3O6 373.4 C1CCN(C1)CCOC2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BEA75L (5R,7S)-7-Amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride Investigative 66560606 C18H20ClNO 301.8 C1CC2=CC=CC=C2[C@H](C(=O)[C@H]1N)CC3=CC=CC=C3.Cl Ki ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BENO90 (S)-2-[[(2S,3R)-2-Hydroxy-3-amino-4-phenyl-1-thioxobutyl]amino]-4-methylpentanoic acid Investigative 14186556 C16H24N2O3S 324.4 CC(C)C[C@@H](C(=O)O)NC(=S)[C@H]([C@@H](CC1=CC=CC=C1)N)O IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BEO4L6 Pyridin-4-yl(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)methanol Investigative 10732834 C18H22N2O2 298.4 C1CCN(C1)CCOC2=CC=C(C=C2)C(C3=CC=NC=C3)O IC50 = 170000 nM Poor binder T03691 Leukotriene A-4 hydrolase BFBX82 (5S,7S)-7-Amino-5-phenylsulfanyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride Investigative 71459163 C17H18ClNOS 319.8 C1CC2=CC=CC=C2[C@@H](C(=O)[C@H]1N)SC3=CC=CC=C3.Cl Ki ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BI1KF9 2-[5-(Naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride Investigative 70051222 C21H21ClN2O 352.9 C1=CC=C2C=C(C=CC2=C1)COC3=CC4=C(C=C3)NC=C4CCN.Cl IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BJX20B 5-Benzyloxytryptamine hydrochloride Investigative 2828785 C17H19ClN2O 302.8 C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN.Cl IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BJZ2G3 2-[5-[(3-Phenoxyphenyl)methoxy]-1H-indol-3-yl]ethanamine;hydrochloride Investigative 70052430 C23H23ClN2O2 394.9 C1=CC=C(C=C1)OC2=CC=CC(=C2)COC3=CC4=C(C=C3)NC=C4CCN.Cl IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BLPA50 3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-5-methoxy- Investigative 11771257 C18H28O4 308.4 CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)OC IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BM90LQ 2-(1-Benzyl-5-methoxy-2-methylindol-3-yl)acetamide Investigative 244154 C19H20N2O2 308.4 CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)CC(=O)N IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BM9FT5 2-(3-Amino-2-hydroxy-4-phenyl-thiobutyrylamino)-4-methyl-pentanoic acid Investigative 10403990 C16H24N2O3S 324.4 CC(C)C[C@@H](C(=O)O)NC(=S)[C@@H]([C@@H](CC1=CC=CC=C1)N)O IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BMA8Z3 (5R,7S)-7-Amino-5-phenylsulfanyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride Investigative 66560602 C17H18ClNOS 319.8 C1CC2=CC=CC=C2[C@H](C(=O)[C@H]1N)SC3=CC=CC=C3.Cl Ki ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BN1J4F 1-[2-(4-Benzyl-3-methoxy-phenoxy)-ethyl]-pyrrolidine Investigative 10543074 C20H25NO2 311.4 COC1=C(C=CC(=C1)OCCN2CCCC2)CC3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BOM7V6 (5R,7S)-7-Amino-5-(3-phenylpropyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride Investigative 66559287 C20H24ClNO 329.9 C1CC2=CC=CC=C2[C@H](C(=O)[C@H]1N)CCCC3=CC=CC=C3.Cl Ki ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BP7AW9 1-(3,4-Dimethoxyphenyl)-5-hydroxydecan-3-one Investigative 71391212 C18H28O4 308.4 CCCCCC(CC(=O)CCC1=CC(=C(C=C1)OC)OC)O IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BPO7C9 1-(2-(4-(4-(Methylsulfonyl)phenoxy)phenoxy)ethyl)pyrrolidine Investigative 49805053 C19H23NO4S 361.5 CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)OCCN3CCCC3 IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BPZD51 5-Hydroxy-1-(3-methoxy-4-prop-2-enoxyphenyl)decan-3-one Investigative 134129959 C20H30O4 334.4 CCCCCC(CC(=O)CCC1=CC(=C(C=C1)OCC=C)OC)O IC50 = 56270 nM Poor binder T03691 Leukotriene A-4 hydrolase BS5D3M 2-[5-[(3-Phenoxyphenyl)methoxy]-1H-indol-3-yl]ethylcarbamic acid Investigative 71720417 C24H22N2O4 402.4 C1=CC=C(C=C1)OC2=CC=CC(=C2)COC3=CC4=C(C=C3)NC=C4CCNC(=O)O IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BSBJ08 3-Amino-N-benzyl-2-hydroxy-4-phenyl-butyramide Investigative 44309819 C17H20N2O2 284.35 C1=CC=C(C=C1)C[C@@H]([C@@H](C(=O)NCC2=CC=CC=C2)O)N IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BSG98J 1-(2-(4-(3-(Methylsulfonyl)phenoxy)phenoxy)ethyl)pyrrolidine Investigative 49805052 C19H23NO4S 361.5 CS(=O)(=O)C1=CC=CC(=C1)OC2=CC=C(C=C2)OCCN3CCCC3 IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BTG31D 2-[5-[2-[4-(2-Nitrophenoxy)phenoxy]ethoxy]-1H-indol-3-yl]ethanamine;hydrochloride Investigative 71569090 C24H24ClN3O5 469.9 C1=CC=C(C(=C1)[N+](=O)[O-])OC2=CC=C(C=C2)OCCOC3=CC4=C(C=C3)NC=C4CCN.Cl IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BUPE05 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one Investigative 5317596 C15H22O4 266.33 CCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BV3H1X 1-(2-(4-(3-(Trifluoromethyl)phenoxy)phenoxy)ethyl)pyrrolidine Investigative 49805176 C19H20F3NO2 351.4 C1CCN(C1)CCOC2=CC=C(C=C2)OC3=CC=CC(=C3)C(F)(F)F IC50 ~ 100000 nM Poor binder T03691 Leukotriene A-4 hydrolase BW02NL [6]-Gingerol Investigative 3473 C17H26O4 294.4 CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O IC50 = 56120 nM Poor binder T03691 Leukotriene A-4 hydrolase BXG0Y9 3-Amino-1,4-diphenyl-butan-2-ol Investigative 10331928 C16H19NO 241.33 C1=CC=C(C=C1)C[C@@H]([C@@H](CC2=CC=CC=C2)O)N IC50 = 140000 nM Poor binder T03691 Leukotriene A-4 hydrolase BZX9D2 (E)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradec-8-en-3-one Investigative 134130173 C21H32O4 348.5 CCCCC/C=C/CCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O IC50 = 67120 nM Poor binder T03691 Leukotriene A-4 hydrolase D04QJY KELATORPHAN Investigative 123982 C14H18N2O5 294.3 C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)CC(=O)NO IC50 ~ 50000 nM Poor binder