CHEMBL1649945


SMILES CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1
InChIKey BUGZBENJTIQSLX-NRMCGMLCSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 675.3

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 9.48 9.48 9.48 ChEMBL
δ OPRD Human Opioid A pKi 8.8 8.8 8.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 6.75 6.75 6.75 ChEMBL
μ OPRM Rat Opioid A pEC50 8.33 8.33 8.33 ChEMBL
μ OPRM Rat Opioid A pIC50 9.13 9.13 9.13 ChEMBL
δ OPRD Human Opioid A pEC50 7.58 7.58 7.59 ChEMBL
δ OPRD Human Opioid A pIC50 8.49 8.49 8.49 ChEMBL