CHEMBL1649947


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 13
Molecular weight (Da) 804.4

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 9.46 9.46 9.46 ChEMBL
δ OPRD Human Opioid A pKi 9.32 9.32 9.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 10.54 10.54 10.54 ChEMBL
μ OPRM Rat Opioid A pEC50 9.14 9.14 9.14 ChEMBL
μ OPRM Rat Opioid A pIC50 9.15 9.15 9.15 ChEMBL
δ OPRD Human Opioid A pEC50 10.05 10.06 10.07 ChEMBL
δ OPRD Human Opioid A pIC50 8.97 8.97 8.97 ChEMBL