CHEMBL1643587


SMILES COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCC(C)(C)C)cc3)n2)C2CCCC2)cc1
InChIKey AIIRTNRFIHOHNN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 527.2

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
V1B V1BR Human Vasopressin and oxytocin A pKi 7.0 7.0 7.0 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 4.6 4.6 4.6 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.1 5.1 5.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database