CHEMBL3086307


SMILES CNc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(OC)cc4[C@@]1(CCN3CC1CC1)C2
InChIKey CIWUQSYYOVTHJB-JXHRLWIKSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 395.2

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
δ OPRD Human Opioid A pKi 8.8 8.8 8.8 ChEMBL
κ OPRK Human Opioid A pKi 8.44 8.44 8.44 ChEMBL
μ OPRM Human Opioid A pKi 8.02 8.02 8.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.01 7.01 7.01 ChEMBL
μ OPRM Human Opioid A pEC50 7.29 7.29 7.29 ChEMBL
μ OPRM Human Opioid A pIC50 6.19 6.19 6.19 ChEMBL