CHEMBL1779419


SMILES CNCc1ccc(OC)c([C@@]2(N3CCC[C@H]3c3ncco3)C(=O)N(S(=O)(=O)c3ccc(OC)cc3)c3ccc(Cl)cc32)c1
InChIKey CCDGXHHJZYGCCT-JTSJOTPCSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 622.2

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 8.41 8.41 8.41 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.87 6.87 6.87 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.61 6.61 6.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database