CHEMBL214022


SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIKey WTPXLBTVBOBEDI-JURIQKAMSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 19
Molecular weight (Da) 789.4

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 9.01 9.03 9.05 ChEMBL
δ OPRD Human Opioid A pKi 8.96 8.98 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.46 7.47 7.48 ChEMBL
μ OPRM Rat Opioid A pIC50 9.01 9.01 9.01 ChEMBL
μ OPRM Rat Opioid A pEC50 7.16 7.19 7.22 ChEMBL
δ OPRD Human Opioid A pIC50 9.0 9.0 9.0 ChEMBL
δ OPRD Human Opioid A pEC50 7.22 7.22 7.22 ChEMBL