relcovaptan


SMILES COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl
InChIKey CEBYCSRFKCEUSW-NAYZPBBASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 619.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pKi 8.8 8.8 8.8 Guide to Pharmacology
V1A V1AR Rat Vasopressin and oxytocin A pKi 8.43 8.43 8.43 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 7.72 7.72 7.72 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 7.7 8.12 8.34 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.5 5.5 5.5 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 4.43 4.43 4.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Rat Vasopressin and oxytocin A pIC50 6.19 6.19 6.19 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pEC50 8.34 8.34 8.34 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pEC50 5.5 5.5 5.5 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 4.43 4.43 4.43 ChEMBL