CHEMBL2338716


SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey NJGRAUIMWPFJGV-SSJILJQQSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 507.3

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
μ OPRM Rat Opioid A pKi 10.22 10.22 10.22 ChEMBL
κ OPRK Human Opioid A pKi 10.72 10.72 10.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pEC50 8.7 8.7 8.7 ChEMBL
κ OPRK Human Opioid A pEC50 9.62 9.62 9.62 ChEMBL