CHEMBL5799746


SMILES COc1ccc(S(=O)(=O)N2C(=O)C(c3cccnc3OC)(N3CC4(CN(C5CCN(C)CC5)C4)C3)C3C=C(C#N)C=CC32)nc1
InChIKey GPEMPTCABIKWJF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 631.3

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 8.26 8.26 8.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database