TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T11241 Sphingosine-1-phosphate receptor 3 B1UHN2 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole Investigative 56948656 C24H22F6N2O 468.4 C1CCC(CC1)(CCC2=NC(=NO2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4 EC50 ~ 62000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 B25YGV 5-[3-[7-(1,3-Dihydroxypropan-2-yl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile Investigative 54756907 C24H27N5O4 449.5 CC1=C2CCN(CC2=NC=C1C3=NOC(=N3)C4=CC(=C(C=C4)OC(C)C)C#N)C(CO)CO EC50 ~ 100000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 B27HCT N-Cyclohexyl-5-cyclopropylisoxazole-3-carboxamide Investigative 16188020 C13H18N2O2 234.29 C1CCC(CC1)NC(=O)C2=NOC(=C2)C3CC3 EC50 ~ 50000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 B3D7XF 2-(7-(5-(3-Cyano-5-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic Acid Investigative 42630194 C23H15F3N4O4 468.4 C1CC2=C(C1CC(=O)O)NC3=C2C=C(C=C3)C4=NOC(=N4)C5=CC(=CC(=C5)C#N)OC(F)(F)F EC50 ~ 100000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 B43SDT 2-Amino-2-methyl-4-(3-(5-phenyl-4-(trifluoromethyl)isoxazol-3-yl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yl)butan-1-ol Investigative 67171863 C26H24F3N3O3 483.5 CC(CCC1=CC2=C(C=C1)C3=NOC(=C3CC2)C4=NOC(=C4C(F)(F)F)C5=CC=CC=C5)(CO)N EC50 ~ 63000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 B53RMO C1=CC(CC(C)C)=CC=C1C1=C(Ccc=2C3=CC=C(O)C=2)C3=NO1 Investigative 136374642 C21H21NO2 319.4 CC(C)CC1=CC=C(C=C1)C2=C3CCC4=C(C3=NO2)C=CC(=C4)O EC50 ~ 63000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 B5HMI7 5-[(4-Naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]pentanoic acid Investigative 134130884 C24H23NO2S 389.5 C1=CC=C2C=C(C=CC2=C1)C3=C4C=C(SC4=CC=C3)CNCCCCC(=O)O EC50 ~ 100000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 B62BZO 6-(Cyclohexyl(cyclopropylmethyl)amino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide Investigative 25182769 C22H28N4O2 380.5 CC1=C(C=CC(=C1)O)NC(=O)C2=CC(=NC=N2)N(CC3CC3)C4CCCCC4 EC50 = 100000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 B8C2JN 1-[(5-Naphthalen-2-yl-1-benzothiophen-2-yl)methyl]azetidine-3-carboxylic acid Investigative 134130169 C23H19NO2S 373.5 C1C(CN1CC2=CC3=C(S2)C=CC(=C3)C4=CC5=CC=CC=C5C=C4)C(=O)O EC50 ~ 100000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 B95UVZ [4-[[3-[5-Phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]methyl]morpholin-3-yl]methanol Investigative 68192027 C27H24F3N3O4 511.5 C1CC2=C(ON=C2C3=C1C=C(C=C3)CN4CCOCC4CO)C5=NOC(=C5C(F)(F)F)C6=CC=CC=C6 EC50 ~ 63000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 B9P8DB 2-[(4-Naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]acetic acid Investigative 134130695 C21H17NO2S 347.4 C1=CC=C2C=C(C=CC2=C1)C3=C4C=C(SC4=CC=C3)CNCC(=O)O EC50 ~ 100000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 BBL4N5 C=12Ccc3=CC(O)=CC=C3C2=noc=1C(=NO1)C=C1C1=CC=CC=C1 Investigative 136374592 C20H14N2O3 330.3 C1CC2=C(ON=C2C3=C1C=C(C=C3)O)C4=NOC(=C4)C5=CC=CC=C5 EC50 ~ 63000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 BE8PY2 4-[(4-Naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]butanoic acid Investigative 134131381 C23H21NO2S 375.5 C1=CC=C2C=C(C=CC2=C1)C3=C4C=C(SC4=CC=C3)CNCCCC(=O)O EC50 ~ 100000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 BEHF32 5-[2-(1-Phenylcyclohexyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole Investigative 56948896 C23H23F3N2O2 416.4 C1CCC(CC1)(CCC2=NC(=NO2)C3=CC=C(C=C3)OC(F)(F)F)C4=CC=CC=C4 EC50 ~ 62000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 BK3M6F 1-((3-(3-Phenyl-4-(trifluoromethyl)isoxazol-5-yl)-4,5-dihydro-2H-benzo[g]indazol-7-yl)methyl)azetidine-3-carboxylic acid Investigative 67169024 C26H21F3N4O3 494.5 C1CC2=C(NN=C2C3=C1C=C(C=C3)CN4CC(C4)C(=O)O)C5=C(C(=NO5)C6=CC=CC=C6)C(F)(F)F EC50 ~ 63000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 BKY20I 1-({4-[5-(4-Propylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid Investigative 10317453 C22H23N3O3 377.4 CCCC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)CN4CC(C4)C(=O)O IC50 = 58000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 BL08QC N,N-Dicyclohexyl-1,2-benzoxazole-3-carboxamide Investigative 25110524 C20H26N2O2 326.4 C1CCC(CC1)N(C2CCCCC2)C(=O)C3=NOC4=CC=CC=C43 EC50 ~ 50000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 BN0T6U CID 44517795 Investigative 44517795 C22H15F3N4O5 472.4 C1CN(C2=C1C=C(C=C2)C3=NOC(=N3)C4=CC(=CC(=C4)C#N)OC(F)(F)F)C(=O)CCC(=O)O EC50 ~ 100000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 BP6I0S N,N-Dicyclohexyl-5-cyclopropylfuran-2-carboxamide Investigative 25110522 C20H29NO2 315.4 C1CCC(CC1)N(C2CCCCC2)C(=O)C3=CC=C(O3)C4CC4 EC50 ~ 50000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 BPH2S4 2-(7-(5-(3-Cyano-5-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acid Investigative 44138103 C23H15F3N4O4 468.4 C1CN2C3=C(C=C(C=C3)C4=NOC(=N4)C5=CC(=CC(=C5)C#N)OC(F)(F)F)C=C2C1CC(=O)O EC50 ~ 100000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 BQ3H5B N,N-Dicyclohexyl-2-cyclopropyl-1,3-oxazole-4-carboxamide Investigative 25110521 C19H28N2O2 316.4 C1CCC(CC1)N(C2CCCCC2)C(=O)C3=COC(=N3)C4CC4 EC50 ~ 50000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 BQ43ZB 3-[(4-Naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]propanoic acid Investigative 134130546 C22H19NO2S 361.5 C1=CC=C2C=C(C=CC2=C1)C3=C4C=C(SC4=CC=C3)CNCCC(=O)O EC50 ~ 100000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 BRE9B3 (R)-2-Amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate Investigative 46885798 C27H27F3N3O5P 561.5 C[C@](COP(=O)(O)O)(C1=NC=C(N1)C2=CC(=C(C=C2)OCCC3=CC=C(C=C3)C4=CC=CC=C4)C(F)(F)F)N IC50 ~ 100000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 BTP8G2 4-[[(4-Naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]methyl]benzoic acid Investigative 134130548 C27H21NO2S 423.5 C1=CC=C2C=C(C=CC2=C1)C3=C4C=C(SC4=CC=C3)CNCC5=CC=C(C=C5)C(=O)O EC50 ~ 100000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 BVWK65 N-Cyclohexyl-5-propyl-3-isoxazolecarboxamide Investigative 5307570 C13H20N2O2 236.31 CCCC1=CC(=NO1)C(=O)NC2CCCCC2 EC50 ~ 50000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 BWHI48 N-Cyclohexyl-N-phenyl-5-propyl-1,2-oxazole-3-carboxamide Investigative 25110105 C19H24N2O2 312.4 CCCC1=CC(=NO1)C(=O)N(C2CCCCC2)C3=CC=CC=C3 EC50 ~ 50000 nM Poor binder T11241 Sphingosine-1-phosphate receptor 3 BZ6EI1 4-({[7-(Naphthalen-2-yl)-1-benzothiophen-2-yl]methyl}amino)butanoic acid Investigative 124221654 C23H21NO2S 375.5 C1=CC=C2C=C(C=CC2=C1)C3=CC=CC4=C3SC(=C4)CNCCCC(=O)O EC50 ~ 100000 nM Poor binder