CHEMBL1649948


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 13
Molecular weight (Da) 820.4

Drug properties

Molecular type Small molecule
Endogenous/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 9.82 9.82 9.82 ChEMBL
δ OPRD Human Opioid A pKi 9.96 9.96 9.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 9.68 9.68 9.68 ChEMBL
μ OPRM Rat Opioid A pIC50 9.55 9.55 9.55 ChEMBL
μ OPRM Rat Opioid A pEC50 10.22 10.23 10.23 ChEMBL
δ OPRD Human Opioid A pEC50 9.69 9.7 9.7 ChEMBL
δ OPRD Human Opioid A pIC50 9.59 9.59 9.59 ChEMBL