CHEMBL61630


SMILES CC[C@@H]1CN2CC[C@@]3(O)C(=Nc4cccc(OC)c43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
InChIKey RYENLSMHLCNXJT-CYXFISRXSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 414.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pKi 6.88 6.88 6.88 ChEMBL
μ OPRM Mouse Opioid A pKi 7.43 7.43 7.43 ChEMBL
δ OPRD Mouse Opioid A pKi 7.05 7.05 7.05 ChEMBL
κ OPRK Guinea pig Opioid A pKi 6.71 6.84 6.91 ChEMBL
δ OPRD Human Opioid A pKi 6.63 6.72 6.81 ChEMBL
κ OPRK Human Opioid A pKi 7.13 7.13 7.13 ChEMBL
μ OPRM Human Opioid A pKi 8.14 8.14 8.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 5.6 5.6 5.6 ChEMBL
μ OPRM Mouse Opioid A pEC50 7.28 7.28 7.28 ChEMBL
δ OPRD Mouse Opioid A pIC50 6.16 6.16 6.16 ChEMBL
κ OPRK Guinea pig Opioid A pEC50 7.28 7.28 7.28 ChEMBL
μ OPRM Human Opioid A pEC50 6.62 7.61 8.23 ChEMBL
μ OPRM Human Opioid A pIC50 6.14 6.14 6.14 ChEMBL