CHEMBL4106544


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc3ccccc3s1)C2
InChIKey FSKVJNNDFYMKCF-QWEWFXQASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 560.2

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
κ OPRK Human Opioid A pKi 8.1 8.1 8.1 ChEMBL
δ OPRD Human Opioid A pKi 6.33 6.33 6.33 ChEMBL
μ OPRM Human Opioid A pKi 7.3 7.3 7.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.2 7.2 7.2 ChEMBL
δ OPRD Human Opioid A pEC50 6.67 6.67 6.67 ChEMBL