CHEMBL3086303


SMILES COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1sc(N)nc1C3
InChIKey LISKUWZQFNWZBE-LRXVAGHRSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 381.2

Drug properties

Molecular type Small molecule
Endogenous/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 7.89 7.89 7.89 ChEMBL
κ OPRK Human Opioid A pKi 8.72 8.72 8.72 ChEMBL
μ OPRM Human Opioid A pKi 8.17 8.17 8.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.31 7.31 7.31 ChEMBL
μ OPRM Human Opioid A pEC50 7.41 7.41 7.41 ChEMBL
μ OPRM Human Opioid A pIC50 6.19 6.19 6.19 ChEMBL