CHEMBL392206


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

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 7
Rotatable bonds 19
Molecular weight (Da) 832.4

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 8.96 8.96 8.96 ChEMBL
δ OPRD Human Opioid A pKi 8.21 8.21 8.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 6.54 6.54 6.54 ChEMBL
μ OPRM Rat Opioid A pEC50 7.96 7.96 7.96 ChEMBL
μ OPRM Rat Opioid A pIC50 8.63 8.63 8.63 ChEMBL
δ OPRD Human Opioid A pEC50 6.95 6.96 6.96 ChEMBL
δ OPRD Human Opioid A pIC50 7.88 7.88 7.88 ChEMBL