CHEMBL439026


SMILES CCC(=O)N(c1ccccc1)C1CCN(C(=O)CCC(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1
InChIKey LNTFQJPSSNUIAA-KUSJRIKGSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 7
Rotatable bonds 17
Molecular weight (Da) 784.4

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
μ OPRM Rat Opioid A pKi 8.24 8.24 8.24 ChEMBL
δ OPRD Human Opioid A pKi 8.49 8.49 8.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 6.6 6.6 6.6 ChEMBL
μ OPRM Rat Opioid A pEC50 7.62 7.62 7.63 ChEMBL
μ OPRM Rat Opioid A pIC50 7.92 7.92 7.92 ChEMBL
δ OPRD Human Opioid A pEC50 6.82 6.82 6.82 ChEMBL
δ OPRD Human Opioid A pIC50 8.18 8.18 8.18 ChEMBL