TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T84173 Glucosylceramidase D0D0ZD Miglitol Approved 441314 C8H17NO5 207.22 C1[C@@H]([C@H]([C@@H]([C@H](N1CCO)CO)O)O)O IC50 = 84000 nM Poor binder T84173 Glucosylceramidase D0S5LT Deoxynojirimycin Phase 3 29435 C6H13NO4 163.17 C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O Ki = 79000 nM Poor binder T84173 Glucosylceramidase B0RXT2 (7R,8R,8As)-3-octylimino-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridine-7,8-diol Investigative 134149179 C15H28N2O2S 300.5 CCCCCCCCN=C1N2CC[C@H]([C@@H]([C@H]2CS1)O)O IC50 = 115000 nM Poor binder T84173 Glucosylceramidase B19HJG (2R,3R,4R)-2-(Hydroxymethyl)-1-propylpiperidine-3,4-diol Investigative 49779547 C9H19NO3 189.25 CCCN1CC[C@H]([C@@H]([C@H]1CO)O)O EC50 = 65900 nM Poor binder T84173 Glucosylceramidase B1UK0Q D-Galacto-Isofagomine Investigative 10240946 C6H13NO3 147.17 C1[C@@H]([C@@H]([C@@H](CN1)O)O)CO IC50 = 54000 nM Poor binder T84173 Glucosylceramidase B1X2LB (2R,3R,4R)-2-(Hydroxymethyl)-1-(2-methoxyethyl)piperidine-3,4-diol Investigative 118458166 C9H19NO4 205.25 COCCN1CC[C@H]([C@@H]([C@H]1CO)O)O EC50 = 60700 nM Poor binder T84173 Glucosylceramidase B2LI1V (1S,2S,3S,4R,5R)-4-(Hydroxymethyl)-5-pyrrolidin-1-ylcyclopentane-1,2,3-triol Investigative 137661141 C10H19NO4 217.26 C1CCN(C1)[C@@H]2[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO Ki = 123000 nM Poor binder T84173 Glucosylceramidase B2MWA1 3-Deoxy-3-[[3-(1-adamantylcarbamoyl)propyl]amino]-scyllo-inositol Investigative 90667059 C20H34N2O6 398.5 C1C2CC3CC1CC(C2)(C3)NC(=O)CCCNC4[C@@H]([C@H](C([C@H]([C@@H]4O)O)O)O)O IC50 = 58000 nM Poor binder T84173 Glucosylceramidase B2UI3B (6R,7S,7As)-3-(16-hydroxyhexadecylimino)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-diol Investigative 134154157 C22H42N2O3S 414.6 C1[C@H]([C@H]([C@@H]2N1C(=NCCCCCCCCCCCCCCCCO)SC2)O)O IC50 = 55000 nM Poor binder T84173 Glucosylceramidase B30WAD (2R,3R,4R)-2-(Hydroxymethyl)-1-(thiophen-2-ylmethyl)piperidine-3,4-diol Investigative 118986938 C11H17NO3S 243.32 C1CN([C@@H]([C@H]([C@@H]1O)O)CO)CC2=CC=CS2 EC50 = 139000 nM Poor binder T84173 Glucosylceramidase B3L9PT (2R,3R,4R)-2-(Hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol Investigative 118986928 C11H21NO3 215.29 CC(=CCN1CC[C@H]([C@@H]([C@H]1CO)O)O)C EC50 = 63000 nM Poor binder T84173 Glucosylceramidase B3S5TV Calystegine B4 Investigative 10559162 C7H13NO4 175.18 C1C[C@]2([C@H]([C@@H]([C@@H]([C@@H]1N2)O)O)O)O Ki = 98000 nM Poor binder T84173 Glucosylceramidase B48ZFO (3S,4R,5R)-3,4,5-Trihydroxy-1-nonylpiperidin-2-one Investigative 44565995 C14H27NO4 273.37 CCCCCCCCCN1C[C@H]([C@H]([C@@H](C1=O)O)O)O IC50 = 102000 nM Poor binder T84173 Glucosylceramidase B4N5DE (1R,2S,3R,4R,5R)-8-Butyl-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol Investigative 53317039 C12H23NO4 245.32 CCCCN1[C@@H]2CC[C@]1([C@H]([C@@H]([C@H]2CO)O)O)O IC50 = 100000 nM Poor binder T84173 Glucosylceramidase B4PSB1 (3S,4R,5R)-3,4,5-Trihydroxy-1-(6-propoxyhexyl)piperidin-2-one Investigative 44566016 C14H27NO5 289.37 CCCOCCCCCCN1C[C@H]([C@H]([C@@H](C1=O)O)O)O IC50 = 127000 nM Poor binder T84173 Glucosylceramidase B51SWN (2R,3S,4R,5R,6R)-2-Butyl-6-(hydroxymethyl)piperidine-3,4,5-triol Investigative 11009466 C10H21NO4 219.28 CCCC[C@@H]1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O IC50 = 70000 nM Poor binder T84173 Glucosylceramidase B5VAC4 Schembl20726290 Investigative 118986937 C11H17NO4 227.26 C1CN([C@@H]([C@H]([C@@H]1O)O)CO)CC2=CC=CO2 EC50 = 65600 nM Poor binder T84173 Glucosylceramidase B6WYL0 (2R,3R,4R)-1-Benzyl-2-(hydroxymethyl)piperidine-3,4-diol Investigative 118986929 C13H19NO3 237.29 C1CN([C@@H]([C@H]([C@@H]1O)O)CO)CC2=CC=CC=C2 Ki = 82990 nM Poor binder T84173 Glucosylceramidase B7EP6S 5-Aminocyclopentane-1,2,3,4-tetrol Investigative 13880378 C5H11NO4 149.15 C1(C(C(C(C1O)O)O)O)N IC50 = 83800 nM Poor binder T84173 Glucosylceramidase B8ILD3 (3r,4r,5r)-1-Benzyl-5-(hydroxymethyl)piperidine-3,4-diol Investigative 54304602 C13H19NO3 237.29 C1[C@@H]([C@H]([C@@H](CN1CC2=CC=CC=C2)O)O)CO Ki = 82990 nM Poor binder T84173 Glucosylceramidase B8ND0Z (3R,4R,5R)-1-(Furan-2-ylmethyl)-5-(hydroxymethyl)piperidine-3,4-diol Investigative 67509777 C11H17NO4 227.26 C1[C@@H]([C@H]([C@@H](CN1CC2=CC=CO2)O)O)CO Ki = 116390 nM Poor binder T84173 Glucosylceramidase B8OIH9 1-Butyl-5-methyl-piperidine-3,4-diol Investigative 44368231 C10H21NO2 187.28 CCCCN1CC(C(C(C1)O)O)C IC50 = 80000 nM Poor binder T84173 Glucosylceramidase B8RS9P (1S,2R,3R,4S,5R,6S)-5,6-Diaminocyclohexane-1,2,3,4-tetrol;dihydrochloride Investigative 90665098 C6H16Cl2N2O4 251.11 [C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)N)N.Cl.Cl IC50 = 53400 nM Poor binder T84173 Glucosylceramidase BC2F8W (2S,3R,4R,5S)-2-(Hydroxymethyl)-1-[5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienoxy]pentyl]piperidine-3,4,5-triol Investigative 118719897 C27H49NO5 467.7 CC(=CCC/C(=C/CC/C(=C/CCOCCCCCN1C[C@@H]([C@H]([C@@H]([C@@H]1CO)O)O)O)/C)/C)C IC50 = 50000 nM Poor binder T84173 Glucosylceramidase BC2L5I (2S,3S,4R,5R,6S)-2-Butyl-6-(hydroxymethyl)piperidine-3,4,5-triol Investigative 46884603 C10H21NO4 219.28 CCCC[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](N1)CO)O)O)O IC50 = 147000 nM Poor binder T84173 Glucosylceramidase BD1J3T Rel-(1R,2S,4R,5S)-6-((1-((1-methyl-1H-benzo[d][1,2,3]triazol-6-yl)methyl)-1H-1,2,3-triazol-4-yl)methylamino)cyclohexane-1,2,3,4,5-pentaol Investigative 52937710 C17H23N7O5 405.4 CN1C2=C(C=CC(=C2)CN3C=C(N=N3)CNC4[C@@H]([C@H](C([C@H]([C@@H]4O)O)O)O)O)N=N1 IC50 = 114000 nM Poor binder T84173 Glucosylceramidase BDP27T Rel-(1R,2S,4R,5S)-6-((1-(3-(3-butoxypropoxy)propyl)-1H-1,2,3-triazol-4-yl)methylamino)cyclohexane-1,2,3,4,5-pentaol Investigative 52937812 C19H36N4O7 432.5 CCCCOCCCOCCCN1C=C(N=N1)CNC2[C@@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O IC50 = 181000 nM Poor binder T84173 Glucosylceramidase BDQI78 (2R,3S,4R,5S)-2-(Hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol Investigative 118411065 C24H33NO5 415.5 C1[C@@H]([C@H]([C@H]([C@H](N1CCCCCOCC2=CC=C(C=C2)C3=CC=CC=C3)CO)O)O)O IC50 = 200000 nM Poor binder T84173 Glucosylceramidase BDT3A4 (2R,3R,4R)-2-(Hydroxymethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol Investigative 118986932 C14H21NO3 251.32 CC1=CC=C(C=C1)CN2CC[C@H]([C@@H]([C@H]2CO)O)O Ki = 53720 nM Poor binder T84173 Glucosylceramidase BDXL51 8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol, (1R,2R,3R,4S,5R)- Investigative 10313337 C7H13NO4 175.18 C1C[C@]2([C@@H]([C@@H]([C@H]([C@@H]1N2)O)O)O)O Ki = 199000 nM Poor binder T84173 Glucosylceramidase BE1H2B N-Pentoxypentyl-L-ido-1-deoxynojirimycin Investigative 53324417 C16H33NO5 319.44 CCCCCOCCCCCN1C[C@@H]([C@H]([C@@H]([C@@H]1CO)O)O)O IC50 = 100000 nM Poor binder T84173 Glucosylceramidase BEC12A (1R,2S,3r,4R,5S,6s)-6-[2-(1-Octyl-1H-1,2,3-triazol-4-yl)ethylamino]cyclohexane-1,2,3,4,5-pentaol Investigative 46867662 C18H34N4O5 386.5 CCCCCCCCN1C=C(N=N1)CCNC2[C@@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O IC50 = 55900 nM Poor binder T84173 Glucosylceramidase BEJ70G (2S,3R,4R,5S)-2-(Hydroxymethyl)-1-[5-(naphthalen-2-ylmethoxy)pentyl]piperidine-3,4,5-triol Investigative 118719899 C22H31NO5 389.5 C1[C@@H]([C@H]([C@@H]([C@@H](N1CCCCCOCC2=CC3=CC=CC=C3C=C2)CO)O)O)O IC50 = 50000 nM Poor binder T84173 Glucosylceramidase BG4ZW2 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-N-[4-[[(1R,2R,3S,4R,5S)-2,3,4-trihydroxy-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioyl]amino]butyl]nonanamide Investigative 137659840 C20H24F13N3O5S 665.5 C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](N2C(=S)NCCCCNC(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O1)O)O)O Ki = 90000 nM Poor binder T84173 Glucosylceramidase BG7IQ2 N-Hexoxypentyl-L-ido-1-deoxynojirimycin Investigative 53319115 C17H35NO5 333.5 CCCCCCOCCCCCN1C[C@@H]([C@H]([C@@H]([C@@H]1CO)O)O)O IC50 = 95000 nM Poor binder T84173 Glucosylceramidase BG9TD1 N-{2-[(3-Chlorophenyl)amino]-4-methylquinolin-6-yl}-4-methylcyclohexanecarboxamide Investigative 16759190 C24H26ClN3O 407.9 CC1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(C=C3C)NC4=CC(=CC=C4)Cl Ki = 122000 nM Poor binder T84173 Glucosylceramidase BGP8W0 (3R,4R,5R)-5-(Hydroxymethyl)-1-[(2-methylphenyl)methyl]piperidine-3,4-diol Investigative 67508866 C14H21NO3 251.32 CC1=CC=CC=C1CN2C[C@@H]([C@H]([C@@H](C2)O)O)CO IC50 = 69470 nM Poor binder T84173 Glucosylceramidase BGU72N (3R,4R,5R)-5-(Hydroxymethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol Investigative 67509108 C14H21NO3 251.32 CC1=CC=C(C=C1)CN2C[C@@H]([C@H]([C@@H](C2)O)O)CO Ki = 53720 nM Poor binder T84173 Glucosylceramidase BH9PW6 (1R,2S,3R,4R,5R)-4-(Hydroxymethyl)-8-nonyl-8-azabicyclo[3.2.1]octane-1,2,3-triol Investigative 53323661 C17H33NO4 315.4 CCCCCCCCCN1[C@@H]2CC[C@]1([C@H]([C@@H]([C@H]2CO)O)O)O IC50 = 60000 nM Poor binder T84173 Glucosylceramidase BI94OZ (1R,2S,4R,5S)-6-[[1-[[3-[(4-Methylpiperazin-1-yl)methyl]phenyl]methyl]triazol-4-yl]methylamino]cyclohexane-1,2,3,4,5-pentol Investigative 52937506 C22H34N6O5 462.5 CN1CCN(CC1)CC2=CC=CC(=C2)CN3C=C(N=N3)CNC4[C@@H]([C@H](C([C@H]([C@@H]4O)O)O)O)O IC50 = 66500 nM Poor binder T84173 Glucosylceramidase BIPW09 (7R,8R,8As)-3-(16-hydroxyhexadecylimino)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridine-7,8-diol Investigative 134131863 C23H44N2O3S 428.7 C1CN2[C@H](CSC2=NCCCCCCCCCCCCCCCCO)[C@H]([C@@H]1O)O IC50 = 56000 nM Poor binder T84173 Glucosylceramidase BKUM38 2,5-Bis-hydroxymethyl-piperidine-3,4-diol Investigative 118719204 C7H15NO4 177.2 C1[C@H]([C@H]([C@@H]([C@@H](N1)CO)O)O)CO Ki = 66000 nM Poor binder T84173 Glucosylceramidase BL3NX9 N-Nonyl-L-ido-1-deoxynojirimycin Investigative 25010362 C15H31NO4 289.41 CCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@@H]1CO)O)O)O IC50 = 50000 nM Poor binder T84173 Glucosylceramidase BM02EY (1s,2s,3s,6r)-4-(Hydroxymethyl)-6-(Octylamino)cyclohex-4-Ene-1,2,3-Triol Investigative 10039700 C15H29NO4 287.39 CCCCCCCCN[C@@H]1C=C([C@@H]([C@@H]([C@H]1O)O)O)CO Ki = 83000 nM Poor binder T84173 Glucosylceramidase BM8J1I (3S,4R,5R)-3,4,5-Trihydroxy-1-octylpiperidin-2-one Investigative 44566012 C13H25NO4 259.339 CCCCCCCCN1C[C@H]([C@H]([C@@H](C1=O)O)O)O IC50 = 175000 nM Poor binder T84173 Glucosylceramidase BMZ8N9 (1S,2R,4S,5R)-6-(Nonylamino)cyclohexane-1,2,3,4,5-pentol;hydrochloride Investigative 57522036 C15H32ClNO5 341.87 CCCCCCCCCNC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O.Cl IC50 = 52600 nM Poor binder T84173 Glucosylceramidase BNW68Y (3S,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol Investigative 10844524 C6H13NO3 147.17 C1[C@@H]([C@H]([C@H](CN1)O)O)CO IC50 = 113000 nM Poor binder T84173 Glucosylceramidase BO4M6D (6S,7S,7Ar)-3-octylimino-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-diol Investigative 134148190 C14H26N2O2S 286.44 CCCCCCCCN=C1N2C[C@@H]([C@H]([C@@H]2CS1)O)O IC50 = 92000 nM Poor binder T84173 Glucosylceramidase BOH4L2 (2R,3R,4R)-2-(Hydroxymethyl)-1-(oxan-4-ylmethyl)piperidine-3,4-diol Investigative 118986935 C12H23NO4 245.32 C1CN([C@@H]([C@H]([C@@H]1O)O)CO)CC2CCOCC2 EC50 = 68300 nM Poor binder T84173 Glucosylceramidase BOY7R6 (2S,3S,4S)-3,4-Dihydroxy-2-(hydroxymethyl)-N-octylpyrrolidine-1-carbothioamide Investigative 134137830 C14H28N2O3S 304.45 CCCCCCCCNC(=S)N1C[C@@H]([C@H]([C@@H]1CO)O)O IC50 = 121000 nM Poor binder T84173 Glucosylceramidase BPA90H 4-Benzenesulfonamido-N-benzylbenzamide Investigative 1241968 C20H18N2O3S 366.4 C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 Ki = 50600 nM Poor binder T84173 Glucosylceramidase BPS57I CID 70681086 Investigative 70681086 C24H48O6 432.6 CCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OCCCCCCCCC)O)O)O)O IC50 = 144000 nM Poor binder T84173 Glucosylceramidase BRO03T 4,4,5,5,6,6,7,7,7-Nonafluoro-N-[9-[[(1R,2R,3S,4R,5S)-2,3,4-trihydroxy-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioyl]amino]nonyl]heptanamide Investigative 137649273 C23H34F9N3O5S 635.6 C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](N2C(=S)NCCCCCCCCCNC(=O)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O1)O)O)O Ki = 80000 nM Poor binder T84173 Glucosylceramidase BSA05L (2R,3R,4R)-2-(Hydroxymethyl)-1-[(2-methylphenyl)methyl]piperidine-3,4-diol Investigative 118986930 C14H21NO3 251.32 CC1=CC=CC=C1CN2CC[C@H]([C@@H]([C@H]2CO)O)O IC50 = 69470 nM Poor binder T84173 Glucosylceramidase BSB8Y3 (3R,4R,5R)-1-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol Investigative 67510634 C13H18FNO3 255.28 C1[C@@H]([C@H]([C@@H](CN1CC2=CC=C(C=C2)F)O)O)CO Ki = 111800 nM Poor binder T84173 Glucosylceramidase BT8D6G (2R,3R,4R)-1-[(4-Fluorophenyl)methyl]-2-(hydroxymethyl)piperidine-3,4-diol Investigative 118986933 C13H18FNO3 255.28 C1CN([C@@H]([C@H]([C@@H]1O)O)CO)CC2=CC=C(C=C2)F EC50 = 70600 nM Poor binder T84173 Glucosylceramidase BTCZ47 (1R,2S,3r,4R,5S,6s)-6-[(1-Butyl-1H-1,2,3-triazol-4-yl)methylamino]cyclohexane-1,2,3,4,5-pentaol Investigative 46867403 C13H24N4O5 316.35 CCCCN1C=C(N=N1)CNC2[C@@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O IC50 = 177827.94 nM Poor binder T84173 Glucosylceramidase BTI3J4 (2S,3R,4R,5S)-1-[5-(Cyclohexylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol Investigative 118719890 C18H35NO5 345.5 C1CCC(CC1)COCCCCCN2C[C@@H]([C@H]([C@@H]([C@@H]2CO)O)O)O IC50 = 60000 nM Poor binder T84173 Glucosylceramidase BV2B1P Rel-(1R,2S,4R,5S)-6-((1-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,3-triazol-4-yl)methylamino)cyclohexane-1,2,3,4,5-pentaol Investigative 52937713 C14H26N4O6 346.38 CC(C)(CN1C=C(N=N1)CNC2[C@@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O)CO IC50 = 134000 nM Poor binder T84173 Glucosylceramidase BW36SH (2R,3R,4R,5S)-1-Hexyl-2-(hydroxymethyl)piperidine-3,4,5-triol Investigative 12766473 C12H25NO4 247.33 CCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O IC50 = 80000 nM Poor binder T84173 Glucosylceramidase BY8E7L (1S,2S,3S,4R,5R)-4-(6-Aminohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol Investigative 137644530 C12H26N2O4 262.35 C(CCCN[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)CCN Ki = 54200 nM Poor binder T84173 Glucosylceramidase BYF04V Chembl4209809 Investigative 145965670 C14H18N4O3 290.32 C1[C@H]([C@H]([C@H](N1)CN2C=C(N=N2)C3=CC=C(C=C3)CO)O)O IC50 = 187000 nM Poor binder T84173 Glucosylceramidase BZ5XW6 (6R,7S,7As)-3-octylimino-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-diol Investigative 134157313 C14H26N2O2S 286.44 CCCCCCCCN=C1N2C[C@H]([C@H]([C@H]2CS1)O)O IC50 = 76000 nM Poor binder T84173 Glucosylceramidase BZ9D2L N-(Adamantan-1-yl)-6-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]hexanamide Investigative 16100286 C22H38N2O4 394.5 C1[C@@H]([C@H]([C@@H](CN1CCCCCC(=O)NC23CC4CC(C2)CC(C4)C3)O)O)CO IC50 = 94000 nM Poor binder T84173 Glucosylceramidase D0R2BA D-Gluconhydroximo-1,5-Lactam Investigative 445248 C6H12N2O5 192.17 C([C@@H]1[C@H]([C@@H]([C@H](C(=N1)NO)O)O)O)O IC50 = 65810 nM Poor binder