Chembl4451186


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](c1ccc(N)cc1)C2
InChIKey XNIHSNZTKXNOGK-CLRRHZRJSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 472.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Rat Opioid A pKi 7.48 7.48 7.48 ChEMBL
δ OPRD Rat Opioid A pEC50 7.67 7.67 7.67 ChEMBL
μ OPRM Rat Opioid A pKi 7.34 7.34 7.34 ChEMBL
κ OPRK Human Opioid A pKi 8.19 8.19 8.19 ChEMBL
κ OPRK Human Opioid A pEC50 7.95 7.95 7.95 ChEMBL