CHEMBL4761211


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 446.2

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 7.06 7.06 7.06 ChEMBL
μ OPRM Rat Opioid A pKi 8.84 8.84 8.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 5.93 5.93 5.93 ChEMBL
μ OPRM Human Opioid A pEC50 8.51 8.51 8.51 ChEMBL
δ OPRD Human Opioid A pEC50 7.97 7.97 7.97 ChEMBL