CHEMBL4757240


SMILES CO[C@@]12CC[C@H](N[C@H](Cc3ccccc3)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIKey SILMEZJWWQTRJT-MMUDNFAGSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 464.2

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
κ OPRK Guinea pig Opioid A pKi 7.12 7.12 7.12 ChEMBL
μ OPRM Rat Opioid A pKi 9.21 9.21 9.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.08 8.08 8.08 ChEMBL
κ OPRK Human Opioid A pEC50 6.67 6.67 6.67 ChEMBL
μ OPRM Human Opioid A pEC50 9.11 9.11 9.11 ChEMBL