CHEMBL341339


SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2
InChIKey XKVDTEPESVJNPJ-NGXZDTIWSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 459.2

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
V1A V1AR Rat Vasopressin and oxytocin A pKi 4.58 4.58 4.58 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKi 4.54 4.54 4.54 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 6.43 6.43 6.43 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.28 6.28 6.28 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 5.25 5.25 5.25 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.8 5.8 5.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Rat Vasopressin and oxytocin A pIC50 4.16 4.16 4.16 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pIC50 6.1 6.1 6.1 ChEMBL