CHEMBL4740918


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-UMYBCCRSSA-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 5.9 5.9 5.9 ChEMBL
μ OPRM Rat Opioid A pKi 7.94 7.94 7.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.34 8.34 8.34 ChEMBL
κ OPRK Human Opioid A pEC50 5.65 5.65 5.65 ChEMBL
μ OPRM Human Opioid A pEC50 7.9 7.9 7.9 ChEMBL