CHEMBL390935


SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3Br)C[C@]21C
InChIKey LPLNKDACKRUXCO-WTRWFAFPSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 510.1

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
δ OPRD Human Opioid A pKi 5.12 5.12 5.12 ChEMBL
κ OPRK Human Opioid A pKi 8.52 8.53 8.54 ChEMBL
μ OPRM Human Opioid A pKi 5.84 5.84 5.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.3 8.77 10.4 ChEMBL