CHEMBL226217


SMILES Nc1nc2c(s1)C[C@H]1[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2
InChIKey HBUZKCMRMAMMDZ-YRISNDGFSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 367.2

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 9.64 9.64 9.64 ChEMBL
κ OPRK Human Opioid A pKi 10.15 10.15 10.15 ChEMBL
μ OPRM Human Opioid A pKi 9.92 9.92 9.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 9.77 9.77 9.77 ChEMBL
κ OPRK Human Opioid A pEC50 9.21 9.34 9.47 ChEMBL
μ OPRM Human Opioid A pIC50 8.52 8.63 8.74 ChEMBL
μ OPRM Human Opioid A pEC50 9.4 9.4 9.4 ChEMBL