CHEMBL4595172


SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(S(C)(=O)=O)c2ccc(Cc3ccccc3)cc21
InChIKey JILLAHCFROCNMG-IZZNHLLZSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 507.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pKi 10.22 10.22 10.22 ChEMBL
κ OPRK Human Opioid A pKi 8.1 8.1 8.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pEC50 9.64 9.64 9.64 ChEMBL
κ OPRK Human Opioid A pEC50 6.92 6.92 6.92 ChEMBL