CHEMBL4741203


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

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 416.2

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
μ OPRM Rat Opioid A pKi 8.77 8.77 8.77 ChEMBL
κ OPRK Guinea pig Opioid A pKi 6.7 6.7 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.95 8.95 8.95 ChEMBL
κ OPRK Human Opioid A pEC50 5.65 5.65 5.65 ChEMBL
μ OPRM Human Opioid A pEC50 8.35 8.35 8.35 ChEMBL