TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T79062 5-HT 7 receptor B03TRB Chembl4174981 Investigative 2962174 C22H17F3N4O 410.4 C1=CC=C(C=C1)CN2C(=NC(C2=O)(C(F)(F)F)NC3=CC=CC=N3)C4=CC=CC=C4 Ki = 84500 nM Poor binder T79062 5-HT 7 receptor B0MO6A 1-(1-Benzothiophen-3-yl)-3-[4-[4-nitro-2-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]propan-1-one Investigative 52952201 C23H22F3N3O3S 477.5 C1CN(CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)CCC(=O)C3=CSC4=CC=CC=C43 Ki ~ 100000 nM Poor binder T79062 5-HT 7 receptor B2O1UY 2a-[4-(4-Cyclohexylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one Investigative 10668422 C25H37N3O 395.6 C1CCC(CC1)N2CCN(CC2)CCCCC34CCCC5=C3C(=CC=C5)NC4=O Ki = 100000 nM Poor binder T79062 5-HT 7 receptor B3R4KH 4-[(3S)-3-[[3-(1-Benzothiophen-3-yl)-3-oxopropyl]amino]pyrrolidin-1-yl]benzonitrile Investigative 52952305 C22H21N3OS 375.5 C1CN(C[C@H]1NCCC(=O)C2=CSC3=CC=CC=C32)C4=CC=C(C=C4)C#N Ki ~ 100000 nM Poor binder T79062 5-HT 7 receptor B4CG5X Ikonnikoside I Investigative 10183148 C21H18O12 462.4 C1=CC=C(C(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O IC50 = 135000 nM Poor binder T79062 5-HT 7 receptor B5GQC6 1-(5-Fluoro-1-benzothiophen-3-yl)-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Investigative 52952200 C21H20FN3O3S 413.5 C1CN(CCN1CCC(=O)C2=CSC3=C2C=C(C=C3)F)C4=CC=C(C=C4)[N+](=O)[O-] Ki = 91201.08 nM Poor binder T79062 5-HT 7 receptor B6M8EY 1-(Benzo[b]thiophene-3-yl)-3-[4-(4-nitrophenyl)piperazino]-1-propanone Investigative 52952098 C21H21N3O3S 395.5 C1CN(CCN1CCC(=O)C2=CSC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-] Ki ~ 100000 nM Poor binder T79062 5-HT 7 receptor B71NXC 3-Butylidenephthalide Investigative 642376 C12H12O2 188.22 CCC/C=C\\1/C2=CC=CC=C2C(=O)O1 IC50 = 126600 nM Poor binder T79062 5-HT 7 receptor B7V4CA 1-(1-Benzothiophen-3-yl)-3-[[(3S)-1-[4-nitro-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]propan-1-one Investigative 52952304 C22H20F3N3O3S 463.5 C1CN(C[C@H]1NCCC(=O)C2=CSC3=CC=CC=C32)C4=C(C=C(C=C4)[N+](=O)[O-])C(F)(F)F Ki ~ 100000 nM Poor binder T79062 5-HT 7 receptor B8ZBW1 Chembl4166092 Investigative 145954503 C21H20F2N2O2 370.4 C1CN(CC2=C1ON=C2C3=CC(=C(C=C3)F)F)CC[C@H](C4=CC=CC=C4)O Ki = 71200 nM Poor binder T79062 5-HT 7 receptor BBJ4R9 1-(1-Benzothiophen-3-yl)-3-[[(3R)-1-(4-nitrophenyl)pyrrolidin-3-yl]amino]propan-1-one Investigative 52952306 C21H21N3O3S 395.5 C1CN(C[C@@H]1NCCC(=O)C2=CSC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-] Ki ~ 100000 nM Poor binder T79062 5-HT 7 receptor BCQ79Y 1-(1-Benzothiophen-3-yl)-3-[(3R)-3-(4-nitroanilino)pyrrolidin-1-yl]propan-1-one Investigative 52952203 C21H21N3O3S 395.5 C1CN(C[C@@H]1NC2=CC=C(C=C2)[N+](=O)[O-])CCC(=O)C3=CSC4=CC=CC=C43 Ki ~ 100000 nM Poor binder T79062 5-HT 7 receptor BIA50K (8S,9Z)-8-Hydroxy-1-methoxy-9-heptadecene-4,6-diyne-3-one Investigative 44575261 C18H26O3 290.4 CCCCCCC/C=C\\[C@@H](C#CC#CC(=O)CCOC)O IC50 ~ 150000 nM Poor binder T79062 5-HT 7 receptor BJZ8A6 1-(1-Benzothiophen-3-yl)-3-[[(3R)-1-(4-nitrophenyl)pyrrolidin-3-yl]amino]propan-1-ol Investigative 52952423 C21H23N3O3S 397.5 C1CN(C[C@@H]1NCCC(C2=CSC3=CC=CC=C32)O)C4=CC=C(C=C4)[N+](=O)[O-] Ki ~ 100000 nM Poor binder T79062 5-HT 7 receptor BP9BA1 1-(1-Benzothiophen-3-yl)-3-[[(3S)-1-(4-nitrophenyl)pyrrolidin-3-yl]amino]propan-1-one Investigative 52952204 C21H21N3O3S 395.5 C1CN(C[C@H]1NCCC(=O)C2=CSC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-] Ki ~ 100000 nM Poor binder T79062 5-HT 7 receptor BPV3G2 1-(1-Benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one Investigative 52952419 C20H26N2O2S 358.5 C1CN(CCC1N2CCOCC2)CCC(=O)C3=CSC4=CC=CC=C43 Ki = 53703.18 nM Poor binder T79062 5-HT 7 receptor BT9FC4 (9Z,11S,16R)-Dihydroxyoctadeca-9,17-dien-12,14-diyn-1-yl acetate Investigative 11652871 C20H28O4 332.4 CC(=O)OCCCCCCCC/C=C\\[C@@H](C#CC#C[C@@H](C=C)O)O IC50 = 118100 nM Poor binder T79062 5-HT 7 receptor BU63LY Scutellarin Investigative 185617 C21H18O12 462.4 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O IC50 = 63400 nM Poor binder T79062 5-HT 7 receptor BUHT16 Dihydrobaicalin Investigative 14135325 C21H20O11 448.4 C1[C@H](OC2=CC(=C(C(=C2C1=O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=CC=C4 IC50 = 179000 nM Poor binder T79062 5-HT 7 receptor BUIE98 1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline Investigative 198967 C17H16N2 248.32 C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4 Ki = 97000 nM Poor binder T79062 5-HT 7 receptor BV76AM (3S)-3-Methyl-1-[(3S)-3-methyl-4-naphthalen-1-ylsulfonylpentyl]piperidine Investigative 44368373 C22H31NO2S 373.6 C[C@H]1CCCN(C1)CC[C@H](C)C(C)S(=O)(=O)C2=CC=CC3=CC=CC=C32 Ki = 100000 nM Poor binder T79062 5-HT 7 receptor BZ34NU Falcarindiol Investigative 5281148 C17H24O2 260.399 CCCCCCC/C=C\\[C@@H](C#CC#C[C@@H](C=C)O)O IC50 = 117500 nM Poor binder T79062 5-HT 7 receptor BZND03 4-[4-[3-(1-Benzothiophen-3-yl)-3-oxopropyl]piperazin-1-yl]benzonitrile Investigative 52952100 C22H21N3OS 375.5 C1CN(CCN1CCC(=O)C2=CSC3=CC=CC=C32)C4=CC=C(C=C4)C#N Ki ~ 100000 nM Poor binder