CHEMBL1649942


SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1
InChIKey KUBFMPDEEMIMDT-QOEXFKEZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 17
Molecular weight (Da) 758.4

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 10.7 10.7 10.7 ChEMBL
δ OPRD Human Opioid A pKi 9.4 9.4 9.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 9.43 9.43 9.43 ChEMBL
μ OPRM Rat Opioid A pEC50 9.53 9.54 9.54 ChEMBL
μ OPRM Rat Opioid A pIC50 10.5 10.5 10.5 ChEMBL
δ OPRD Human Opioid A pEC50 10.15 10.15 10.15 ChEMBL
δ OPRD Human Opioid A pIC50 9.07 9.07 9.07 ChEMBL