Chembl2113671


SMILES CO[C@]12C=C[C@@]3(C[C@H]1[C@@H](C)OCc1ccccc1)[C@H]1Cc4ccc(O)c5c4C3(CCN1C)[C@@H]2O5
InChIKey CPYPBXTZJKPBSH-ARJUCCIZSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 459.2

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 9.8 9.8 9.8 ChEMBL
δ OPRD Human Opioid A pEC50 8.96 8.96 8.96 ChEMBL
κ OPRK Human Opioid A pKi 9.08 9.08 9.08 ChEMBL
κ OPRK Human Opioid A pEC50 10.0 10.0 10.0 ChEMBL
μ OPRM Human Opioid A pKi 9.19 9.19 9.19 ChEMBL
μ OPRM Human Opioid A pEC50 9.22 9.22 9.22 ChEMBL