TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T86014 Sphingosine kinase 1 D0X6BX ABC294640 Phase 2 15604015 C23H25ClN2O 380.9 C1C2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC=NC=C4)C5=CC=C(C=C5)Cl IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 B0DF7M 3-Hydroxy-N-[(E)-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide Investigative 127051495 C22H17F3N2O3 414.4 C1=CC=C(C(=C1)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC(=CC=C3)O)C(F)(F)F IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 B0KA1Y [(2S)-1-[[4-[2-Methyl-3-[[(2R)-oxolan-2-yl]methyl]benzimidazol-5-yl]phenyl]methyl]pyrrolidin-2-yl]methanol Investigative 137642521 C25H31N3O2 405.5 CC1=NC2=C(N1C[C@H]3CCCO3)C=C(C=C2)C4=CC=C(C=C4)CN5CCC[C@H]5CO IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 B0O5ME N-[(E)-[3-[(3-Cyanophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide Investigative 127052117 C22H17N3O5 403.4 C1=CC(=CC(=C1)C#N)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O IC50 = 85260 nM Poor binder T86014 Sphingosine kinase 1 B1C7DK US9421177, Vpc171147 Investigative 88866045 C20H31N3O3 361.5 CCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2(CC2)/C(=N/O)/N Ki = 60000 nM Poor binder T86014 Sphingosine kinase 1 B1Y4KV 3-Hydroxy-N-[(E)-[3-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide Investigative 127052730 C22H20N2O4 376.4 COC1=CC=CC(=C1)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC(=CC=C3)O IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 B2I9UF N-[(E)-[4-[(2-Cyanophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide Investigative 127050923 C22H17N3O5 403.4 C1=CC=C(C(=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O)C#N IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 B3MZE7 3-Hydroxy-N-[(E)-[4-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide Investigative 127052734 C22H20N2O4 376.4 COC1=CC=CC(=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=CC(=CC=C3)O IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 B3ZX6P N-[(E)-[3-[(2-Fluorophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide Investigative 127052719 C21H17FN2O5 396.4 C1=CC=C(C(=C1)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O)F IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 B45KLX N-[(E)-[3-[(4-Chlorophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide Investigative 127053009 C21H17ClN2O5 412.8 C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 B4G1LH [(2S)-1-[[4-[2-Methyl-3-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]phenyl]methyl]pyrrolidin-2-yl]methanol Investigative 137636078 C25H31N3O2 405.5 CC1=NC2=C(N1C[C@@H]3CCCO3)C=C(C=C2)C4=CC=C(C=C4)CN5CCC[C@H]5CO IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 B6KT5Z 3,5-Dihydroxy-N-[(E)-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide Investigative 127051496 C22H17F3N2O4 430.4 C1=CC=C(C(=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=CC(=CC(=C3)O)O)C(F)(F)F IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 B6YOW7 3-{[4-(2-Hydroxyethyl)phenyl]amino}-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Investigative 2936770 C21H24N2O4 368.4 CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=CC=C(C=C3)CCO IC50 = 61600 nM Poor binder T86014 Sphingosine kinase 1 B76BJM 2-Hydroxyethyl-dimethyl-[4-(4-octylphenyl)cyclohexyl]azanium;iodide Investigative 57395846 C24H42INO 487.5 CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)[N+](C)(C)CCO.[I-] Ki = 70000 nM Poor binder T86014 Sphingosine kinase 1 B90WAB 3,5-Dihydroxy-N-[(E)-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide Investigative 127051493 C22H17F3N2O4 430.4 C1=CC=C(C(=C1)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC(=CC(=C3)O)O)C(F)(F)F IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 B94YFS US9421177, Vpc171117 Investigative 88866044 C18H27N3O3 333.4 CCCCCCCOC1=CC=C(C=C1)C(=O)NC2(CC2)/C(=N/O)/N Ki ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 B9F3HV 1-[(2S,3R)-1,3-Dihydroxyoctadecan-2-yl]-3-[3-(trifluoromethyl)phenyl]thiourea Investigative 76325790 C26H43F3N2O2S 504.7 CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=S)NC1=CC=CC(=C1)C(F)(F)F)O IC50 = 69000 nM Poor binder T86014 Sphingosine kinase 1 BAL20C 3,4,5-Trihydroxy-N-[(E)-[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide Investigative 127049336 C22H20N2O6 408.4 COC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BCLA15 N-[(E)-[3-[(4-Cyanophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide Investigative 127049294 C22H17N3O5 403.4 C1=CC(=CC(=C1)OCC2=CC=C(C=C2)C#N)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O IC50 = 69440 nM Poor binder T86014 Sphingosine kinase 1 BCM2O0 Trimethyl-[4-(4-octylphenyl)cyclohexyl]azanium;iodide Investigative 56839813 C23H40IN 457.5 CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)[N+](C)(C)C.[I-] Ki = 60000 nM Poor binder T86014 Sphingosine kinase 1 BD2KF3 2-Methyl-1-[[(2R)-oxolan-2-yl]methyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazole Investigative 137660541 C24H29N3O 375.5 CC1=NC2=C(N1C[C@H]3CCCO3)C=C(C=C2)C4=CC=C(C=C4)CN5CCCC5 IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BEST82 Chembl4162455 Investigative 145959201 C22H30N4O3 398.5 CCCCOC(=O)NC1=CC=C(C=C1)C(CN2CCN(CC2)C3=CC=NC=C3)O IC50 = 55000 nM Poor binder T86014 Sphingosine kinase 1 BFIR67 4-Hydroxy-N-[(E)-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide Investigative 127050865 C22H17F3N2O3 414.4 C1=CC=C(C(=C1)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC=C(C=C3)O)C(F)(F)F IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BHIT31 3,4,5-Trihydroxy-N-[(E)-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide Investigative 127050921 C22H17F3N2O5 446.4 C1=CC(=CC(=C1)C(F)(F)F)COC2=CC=C(C=C2)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O IC50 = 54720 nM Poor binder T86014 Sphingosine kinase 1 BHR86Z Chembl4173139 Investigative 145952277 C22H30N4O3 398.5 CCCCOC(=O)NC1=CC=CC(=C1)C(CN2CCN(CC2)C3=CC=NC=C3)O IC50 = 60000 nM Poor binder T86014 Sphingosine kinase 1 BIZG91 3,4,5-Trihydroxy-N-[(E)-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide Investigative 127049002 C22H17F3N2O5 446.4 C1=CC(=CC(=C1)C(F)(F)F)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BJA85N N-[(E)-[3-[(3-Fluorophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide Investigative 127052720 C21H17FN2O5 396.4 C1=CC(=CC(=C1)F)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BJCN71 US9421177, Vpc95127 Investigative 88866052 C20H31N3O2 345.5 CCCCCCCCC1=CC=C(C=C1)C(=O)N2CCC[C@H]2/C(=N/O)/N Ki ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BJT15I 4-Hydroxy-N-[(E)-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide Investigative 127050290 C22H17F3N2O3 414.4 C1=CC=C(C(=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)O)C(F)(F)F IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BKCU16 3,5-Dihydroxy-N-[(E)-[3-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide Investigative 127052728 C22H20N2O5 392.4 COC1=CC=CC(=C1)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC(=CC(=C3)O)O IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BL58OE 3-Hydroxy-N-[(E)-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide Investigative 127049994 C22H17F3N2O3 414.4 C1=CC=C(C(=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=CC(=CC=C3)O)C(F)(F)F IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BLI6J3 3,4,5-Trihydroxy-N-[(E)-[3-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide Investigative 127052121 C22H20N2O6 408.4 COC1=CC=C(C=C1)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BLPG87 3,4,5-Trihydroxy-N-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide Investigative 127048670 C22H20N2O5 392.4 CC1=CC=CC=C1COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O IC50 = 63240 nM Poor binder T86014 Sphingosine kinase 1 BN1KS2 N-[(E)-[3-[(4-Fluorophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide Investigative 127052721 C21H17FN2O5 396.4 C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BNG9I1 Dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium;iodide Investigative 57399302 C25H44IN 485.5 CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)[N+](C)(C)C(C)C.[I-] Ki ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BP34GE 3,4,5-Trihydroxy-N-[(E)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide Investigative 127048671 C22H20N2O5 392.4 CC1=CC(=CC=C1)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O IC50 = 52100 nM Poor binder T86014 Sphingosine kinase 1 BQ43KI 3,5-Dihydroxy-N-[(E)-[4-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide Investigative 127052732 C22H20N2O5 392.4 COC1=CC=CC(=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=CC(=CC(=C3)O)O IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BQGL30 4-Hydroxy-N-[(E)-[4-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide Investigative 127051492 C22H20N2O4 376.4 COC1=CC=CC(=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)O IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BS1N0U N'-{(E)-[3-(Benzyloxy)phenyl]methylidene}-1H-benzimidazole-6-carbohydrazide Investigative 9660619 C22H18N4O2 370.4 C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC4=C(C=C3)N=CN4 IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BVH6F9 N-Methyl-4-(4-octylphenyl)cyclohexan-1-amine Investigative 57390485 C21H35N 301.5 CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)NC Ki ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BXF3Y9 4-Hydroxy-N-[(E)-[3-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide Investigative 127052731 C22H20N2O4 376.4 COC1=CC=CC(=C1)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC=C(C=C3)O IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 BZFL16 N-[(E)-[3-[(3-Chlorophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide Investigative 127053008 C21H17ClN2O5 412.8 C1=CC(=CC(=C1)Cl)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O IC50 ~ 100000 nM Poor binder T86014 Sphingosine kinase 1 D0H2LN ROMe Investigative 71458556 C20H35NO2 321.5 CCCCCCCCC1=CC=C(C=C1)CC[C@@](CO)(COC)N IC50 ~ 50000 nM Poor binder T86014 Sphingosine kinase 1 D0M9DT DIMETHYLSPINGOSINE Investigative 5282309 C20H41NO2 327.5 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N(C)C)O IC50 = 50560 nM Poor binder