CHEMBL392207


SMILES CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1
InChIKey SCPWCPHTILIICX-WDBFUDDQSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 18
Molecular weight (Da) 817.4

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 7.64 7.64 7.64 ChEMBL
δ OPRD Human Opioid A pKi 9.16 9.16 9.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.62 7.62 7.62 ChEMBL
μ OPRM Rat Opioid A pEC50 7.39 7.39 7.39 ChEMBL
μ OPRM Rat Opioid A pIC50 7.24 7.24 7.24 ChEMBL
δ OPRD Human Opioid A pEC50 7.43 7.43 7.43 ChEMBL
δ OPRD Human Opioid A pIC50 8.75 8.75 8.75 ChEMBL