CHEMBL4107210


SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5c4[C@@]3(CCN1C)[C@H]2O5
InChIKey SLLRNVZTIOXEHG-IDMKRTBKSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 456.2

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 5.43 5.43 5.43 ChEMBL
κ OPRK Human Opioid A pKi 8.75 8.75 8.75 ChEMBL
μ OPRM Human Opioid A pKi 6.83 6.83 6.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.06 7.06 7.06 ChEMBL
μ OPRM Human Opioid A pEC50 6.6 6.6 6.6 ChEMBL