CHEMBL2408014


SMILES CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1
InChIKey KMKSKJSSXJJATB-XUTHUYCTSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 729.4

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 9.35 9.35 9.35 ChEMBL
δ OPRD Human Opioid A pKi 9.12 9.12 9.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.38 7.38 7.38 ChEMBL
μ OPRM Rat Opioid A pIC50 9.02 9.02 9.02 ChEMBL
μ OPRM Rat Opioid A pEC50 9.04 9.04 9.05 ChEMBL
δ OPRD Human Opioid A pEC50 8.09 8.09 8.09 ChEMBL
δ OPRD Human Opioid A pIC50 8.8 8.8 8.8 ChEMBL