CHEMBL246739


SMILES Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O
InChIKey AYRRYHMNASIQTF-SDHOMARFSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 7
Rotatable bonds 16
Molecular weight (Da) 610.3

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
δ OPRD Human Opioid A pKi 9.0 9.0 9.0 ChEMBL
κ OPRK Human Opioid A pKi 5.89 5.89 5.89 ChEMBL
μ OPRM Human Opioid A pKi 8.01 8.01 8.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.39 8.39 8.39 ChEMBL
μ OPRM Human Opioid A pEC50 6.75 6.75 6.75 ChEMBL