CHEMBL235106


SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(CCc2ccccc2)CC1
InChIKey YICNJKARNVERTG-LNMMVMNESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 15
Molecular weight (Da) 642.4

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 7.85 7.85 7.85 ChEMBL
μ OPRM Rat Opioid A pKi 7.85 7.85 7.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 6.42 6.42 6.42 ChEMBL
δ OPRD Human Opioid A pEC50 6.29 6.29 6.29 ChEMBL
δ OPRD Human Opioid A pIC50 7.51 7.51 7.51 ChEMBL
μ OPRM Rat Opioid A pEC50 6.9 6.9 6.9 ChEMBL
μ OPRM Rat Opioid A pIC50 7.52 7.52 7.52 ChEMBL