CHEMBL2408016


SMILES CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1
InChIKey IYBGKVVLPOWJSK-XUTHUYCTSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 747.4

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 8.72 8.72 8.72 ChEMBL
δ OPRD Human Opioid A pKi 8.03 8.03 8.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.07 7.07 7.07 ChEMBL
μ OPRM Rat Opioid A pIC50 8.39 8.39 8.39 ChEMBL
μ OPRM Rat Opioid A pEC50 8.35 8.35 8.35 ChEMBL
δ OPRD Human Opioid A pEC50 7.82 7.83 7.84 ChEMBL
δ OPRD Human Opioid A pIC50 7.69 7.69 7.69 ChEMBL