CHEMBL2334772


SMILES C=C(C(=O)O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
InChIKey VMGFMOIZZDBILY-DMBLRCPMSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 6
Rotatable bonds 12
Molecular weight (Da) 651.3

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
δ OPRD Human Opioid A pKi 7.59 7.59 7.59 ChEMBL
κ OPRK Human Opioid A pKi 6.72 6.72 6.72 ChEMBL
μ OPRM Human Opioid A pKi 10.49 10.49 10.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Mouse Opioid A pIC50 9.26 9.26 9.26 ChEMBL
δ OPRD Human Opioid A pEC50 7.29 7.29 7.29 ChEMBL