Chembl4114477


SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(N)=O)c5c4[C@@]3(CCN1C)[C@H]2O5
InChIKey YWZUTHYBZDSTKA-IPRXQQHWSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 474.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 6.73 6.73 6.73 ChEMBL
δ OPRD Human Opioid A pEC50 7.07 7.07 7.07 ChEMBL
κ OPRK Human Opioid A pKi 9.82 9.82 9.82 ChEMBL
κ OPRK Human Opioid A pEC50 7.88 7.88 7.88 ChEMBL
μ OPRM Human Opioid A pKi 7.76 7.76 7.76 ChEMBL
μ OPRM Human Opioid A pEC50 6.99 6.99 6.99 ChEMBL