CHEMBL401245


SMILES CO[C@]12C(O)C[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5
InChIKey KVRXULLNGOYSQO-RNFIBMNTSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Molecular weight (Da) 387.2

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 7.6 7.6 7.6 ChEMBL
κ OPRK Human Opioid A pKi 7.58 7.58 7.58 ChEMBL
μ OPRM Human Opioid A pKi 7.7 7.7 7.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.06 7.06 7.06 ChEMBL
κ OPRK Human Opioid A pEC50 6.62 6.62 6.62 ChEMBL
μ OPRM Human Opioid A pEC50 7.37 7.37 7.37 ChEMBL