CHEMBL2334773


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)c1ccco1
InChIKey QBPGLGPDPFXICV-YQOCYVMFSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 12
Molecular weight (Da) 641.3

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 7.65 7.65 7.65 ChEMBL
κ OPRK Human Opioid A pKi 6.7 6.7 6.7 ChEMBL
μ OPRM Human Opioid A pKi 10.39 10.39 10.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Mouse Opioid A pIC50 9.27 9.27 9.27 ChEMBL
δ OPRD Human Opioid A pEC50 7.31 7.31 7.31 ChEMBL