CHEMBL4595743


SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C/C=C/C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
InChIKey MMCXQRSWIBICHB-MELBQDRASA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 12
Rotatable bonds 12
Molecular weight (Da) 932.4

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 8.28 8.28 8.28 ChEMBL
κ OPRK Human Opioid A pKi 6.16 6.16 6.16 ChEMBL
μ OPRM Human Opioid A pKi 7.27 7.27 7.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 9.44 9.44 9.44 ChEMBL
κ OPRK Human Opioid A pEC50 6.01 6.01 6.01 ChEMBL
μ OPRM Human Opioid A pEC50 7.75 7.75 7.75 ChEMBL