CHEMBL1649944


SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1
InChIKey NBCAOCVSBZCMGG-PDHQKIGBSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 15
Molecular weight (Da) 717.4

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 8.3 8.3 8.3 ChEMBL
δ OPRD Human Opioid A pKi 7.72 7.72 7.72 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 7.72 7.72 7.72 ChEMBL
μ OPRM Rat Opioid A pIC50 7.97 7.97 7.97 ChEMBL
δ OPRD Human Opioid A pEC50 7.52 7.52 7.52 ChEMBL
δ OPRD Human Opioid A pIC50 7.4 7.4 7.4 ChEMBL