CHEMBL3754056


SMILES CCC(=O)N(CC1CCCCN1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)O)c1ccccc1
InChIKey CPLFVGPHVVDKDM-YBKIDQFESA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 19
Molecular weight (Da) 784.4

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 9.05 9.05 9.05 ChEMBL
δ OPRD Human Opioid A pKi 8.92 8.92 8.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 9.35 9.35 9.35 ChEMBL
μ OPRM Rat Opioid A pIC50 9.56 9.56 9.56 ChEMBL
δ OPRD Human Opioid A pIC50 8.92 8.92 8.92 ChEMBL