CHEMBL3086305


SMILES CC(=O)Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2
InChIKey NZRGLJXUWHSZJT-JXHRLWIKSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 409.2

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 9.19 9.19 9.19 ChEMBL
κ OPRK Human Opioid A pKi 9.77 9.77 9.77 ChEMBL
μ OPRM Human Opioid A pKi 10.07 10.07 10.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.48 8.48 8.48 ChEMBL
μ OPRM Human Opioid A pIC50 7.92 8.33 8.74 ChEMBL
μ OPRM Human Opioid A pEC50 9.28 9.28 9.28 ChEMBL