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
Physiological/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 6.5 6.75 7.0 Guide to Pharmacology
V1B V1BR Human Vasopressin and oxytocin A pKi 6.3 6.8 7.3 Guide to Pharmacology
V2 V2R Human Vasopressin and oxytocin A pKi 6.6 6.75 6.9 Guide to Pharmacology
V1A V1AR Human Vasopressin and oxytocin A pKd 8.5 8.5 8.5 Guide to Pharmacology
V1A V1AR Human Vasopressin and oxytocin A pKi 8.1 8.7 9.3 Guide to Pharmacology
V1A V1AR Rat Vasopressin and oxytocin A pKi 8.85 8.85 8.85 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKi 6.54 6.54 6.54 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 6.75 6.75 6.75 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 8.7 9.15 9.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Human Vasopressin and oxytocin A pIC50 7.89 7.89 7.89 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.7 4.7 4.7 ChEMBL