CHEMBL2112901


SMILES Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)N(CO)CO)C3(C)C)CC1
InChIKey PDBNEQGDLMPFIX-SVYKIPJPSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 614.3

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Rat Vasopressin and oxytocin A pIC50 6.19 6.19 6.19 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pIC50 6.62 6.62 6.62 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pIC50 8.55 8.55 8.55 ChEMBL