CHEMBL4113162


SMILES CCC1O[C@](C)(C(C)(C)C)[C@H]2C[C@@]34CC[C@]2(O1)[C@@H]1Oc2c(O)ccc5c2[C@@]13CCN(CC1CC1)[C@@H]4C5
InChIKey ZBOHQLGDDZMWIW-IGPVSXOCSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 493.3

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
κ OPRK Human Opioid A pKi 9.72 9.72 9.72 ChEMBL
μ OPRM Human Opioid A pKi 9.46 9.46 9.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.36 8.36 8.36 ChEMBL
μ OPRM Human Opioid A pEC50 8.85 8.85 8.85 ChEMBL