CHEMBL2208350


SMILES COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)C3(C)CCN(CC5CC5)C(C4)C3C)cc2)cc1OC
InChIKey PWHGDVUYVPECPZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 538.3

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 8.82 8.82 8.82 ChEMBL
κ OPRK Human Opioid A pKi 8.89 8.89 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 7.16 7.16 7.16 ChEMBL
δ OPRD Human Opioid A pEC50 8.21 8.21 8.21 ChEMBL
κ OPRK Human Opioid A pEC50 8.52 8.52 8.52 ChEMBL
μ OPRM Human Opioid A pIC50 7.54 7.54 7.54 ChEMBL
μ OPRM Human Opioid A pEC50 8.8 8.8 8.8 ChEMBL