TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T79232 Vasopressin V1a receptor B1OY2B Vasopressin antagonist 1867 Investigative 11677610 C28H36N4O4 492.6 CC(C)NC(=O)CN1C(=NC2=C(C1=O)C=C(C=C2)OCCCN3CCCCC3)C4=CC(=CC=C4)OC IC50 ~ 100000 nM Poor binder T79232 Vasopressin V1a receptor B26CVM 4-Methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide Investigative 743974 C16H19NO3S 305.4 CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)OC)C IC50 ~ 50118.72 nM Poor binder T79232 Vasopressin V1a receptor B2EGZ1 Benzyl 2-((3S,4R)-3-(1,3-dioxoisoindolin-2-yl)-2-oxo-4-((E)-styryl)azetidin-1-yl)-2-(2-methyl-1,3-dioxolan-2-yl)acetate Investigative 14306046 C32H28N2O7 552.6 CC1(OCCO1)C(C(=O)OCC2=CC=CC=C2)N3[C@@H]([C@@H](C3=O)N4C(=O)C5=CC=CC=C5C4=O)/C=C/C6=CC=CC=C6 IC50 = 61000 nM Poor binder T79232 Vasopressin V1a receptor B3EK7G 1-[1-[4-[3-(Acetylamino)propoxy]benzoyl]piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one Investigative 44361521 C25H30N4O4 450.5 CC(=O)NCCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C4=CC=CC=C4CNC3=O Ki = 62000 nM Poor binder T79232 Vasopressin V1a receptor BFQ32P 2-(2-(3-Chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)propoxy)quinazolin-3(4H)-yl)-N-isopropylacetamide Investigative 11854507 C27H33ClN4O3 497 CC(C)NC(=O)CN1C(=NC2=C(C1=O)C=C(C=C2)OCCCN3CCCCC3)C4=CC(=CC=C4)Cl IC50 ~ 100000 nM Poor binder T79232 Vasopressin V1a receptor BJTO01 CID 44247566 Investigative 44247566 C25H32ClN5O3 486 CC(C)NC(=O)CN1C(=CN2C(=CC(=N2)OCCCN3CCCCC3)C1=O)C4=CC(=CC=C4)Cl IC50 ~ 50118.72 nM Poor binder T79232 Vasopressin V1a receptor BK56YW CID 44467347 Investigative 44467347 C26H33ClN4O3 485 CC(C)NC(=O)CN1C(=CN2C=C(C=C2C1=O)OCCCN3CCCCC3)C4=CC(=CC=C4)Cl IC50 ~ 50118.72 nM Poor binder T79232 Vasopressin V1a receptor BS6PH2 Dilithium;3-amino-9-[4-[[(5S)-5-[[(2S)-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-19-hydroxy-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-6-(carboxymethylamino)-6-oxohexyl]carbamoyl]-2-carboxyphenyl]-6-iminoxanthene-4,5-disulfonate Investigative 118705580 C68H76Li2N12O23S4 1571.6 [Li+].[Li+].CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSCC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCNC(=O)C5=CC(=C(C=C5)C6=C7C=CC(=N)C(=C7OC8=C6C=CC(=C8S(=O)(=O)[O-])N)S(=O)(=O)[O-])C(=O)O)C(=O)NCC(=O)O)CC(=O)N Ki = 55300 nM Poor binder T79232 Vasopressin V1a receptor BT7NV9 2-[6-[4-Fluoro-3-(trifluoromethyl)phenyl]-4-oxo-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide Investigative 44466239 C26H31F4N5O3 537.5 CC(C)NC(=O)CN1C(=CN2C(=CC(=N2)OCCCN3CCCCC3)C1=O)C4=CC(=C(C=C4)F)C(F)(F)F IC50 ~ 50118.72 nM Poor binder