CHEMBL572525


SMILES NC(=O)[C@@H]1CSCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1
InChIKey FWDMWCQXNFZSCZ-PMUGGPHNSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 7
Rotatable bonds 9
Molecular weight (Da) 742.3

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
κ OPRK Human Opioid A pKi 8.89 8.89 8.89 ChEMBL
μ OPRM Rat Opioid A pKi 9.33 9.33 9.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.92 7.92 7.92 ChEMBL
μ OPRM Rat Opioid A pEC50 8.92 8.92 8.92 ChEMBL