CHEMBL1779409


SMILES COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1
InChIKey XFYAWJKXDPURTA-BFGHFXMOSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 666.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1B V1BR Human Vasopressin and oxytocin A pKi 10.52 10.52 10.52 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 7.77 7.77 7.77 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database