CHEMBL2338729


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 LPZQCVYGXQRQQM-HFNBOTBWSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 501.3

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 10.54 10.54 10.54 ChEMBL
κ OPRK Human Opioid A pKi 10.33 10.33 10.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pEC50 7.68 7.68 7.68 ChEMBL
κ OPRK Human Opioid A pEC50 9.14 9.14 9.14 ChEMBL