CHEMBL4594706


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-ANLHWTBASA-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 8.14 8.14 8.14 ChEMBL
κ OPRK Human Opioid A pKi 6.3 6.3 6.3 ChEMBL
μ OPRM Human Opioid A pKi 7.12 7.12 7.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 7.35 7.35 7.35 ChEMBL
κ OPRK Human Opioid A pEC50 5.73 5.73 5.73 ChEMBL
μ OPRM Human Opioid A pEC50 7.71 7.71 7.71 ChEMBL