CHEMBL2113211


SMILES COCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1
InChIKey BLNZMQLSYBZPRO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 542.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Rat Vasopressin and oxytocin A pKi 7.48 7.48 7.48 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 8.15 8.15 8.15 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.93 5.93 5.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pIC50 8.1 8.1 8.1 ChEMBL