CHEMBL1779417


SMILES COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCCC4)ccc3OC)(N3CCC[C@H]3c3ncco3)c3cc(Cl)ccc32)cc1
InChIKey NUWNAUVHMPVPKS-BFGHFXMOSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 662.2

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 8.92 8.92 8.92 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.77 6.77 6.77 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.71 6.71 6.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database