CHEMBL2113208


SMILES COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1
InChIKey SYQHKFJZYINWHL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 13
Molecular weight (Da) 586.1

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
OT OXYR Rat Vasopressin and oxytocin A pKi 7.92 7.92 7.92 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 8.52 8.52 8.52 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.29 6.29 6.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pIC50 8.15 8.15 8.15 ChEMBL