CHEMBL4760163


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 431.2

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 6.99 6.99 6.99 ChEMBL
μ OPRM Rat Opioid A pKi 8.9 8.9 8.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.5 8.5 8.5 ChEMBL
κ OPRK Human Opioid A pEC50 6.04 6.04 6.04 ChEMBL
μ OPRM Human Opioid A pEC50 8.69 8.69 8.69 ChEMBL