CHEMBL115076


SMILES O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIKey ZPHNPDOWNMOBPA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 443.1

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Human Vasopressin and oxytocin A pIC50 5.18 5.18 5.18 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.74 5.74 5.74 ChEMBL
A3 AA3R Human Adenosine A pIC50 5.26 5.26 5.26 ChEMBL
κ OPRK Human Opioid A pIC50 5.67 5.67 5.67 ChEMBL
μ OPRM Human Opioid A pIC50 5.76 5.76 5.76 ChEMBL