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Compound Detail

CHEMBL217894

DECYLUBIQUINONE
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CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O

Basic Information

ChEMBL ID CHEMBL217894
Name DECYLUBIQUINONE
Phase Preclinical
Structure Type MOL
InChI Key VMEGFMNVSYVVOM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
4.49
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H30O4
MW 322.45
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 1.28

Activity Summary

EC50 1 meas. best 7.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
EC50 7.25 7.25 56.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 56.0 nM 7.25 Cytoprotective activity against BSO-induced cell death in human Friedreich's ata... 24900738

Literature References

PubMed DOI Target Context # Activities
23313093 10.1016/j.bmc.2012.11.051 Unchecked 15
24900738 10.1021/ml400130z Unchecked 11
23473946 10.1016/j.bmc.2013.01.075 CCRF-CEM 8
23473946 10.1016/j.bmc.2013.01.075 Unchecked 8
17228860 10.1021/jm060687j Dihydroorotate dehydrogenase (quinone), mitochondrial 4
18461966 10.1021/jf800331r Coptotermes formosanus 4
23313093 10.1016/j.bmc.2012.11.051 CCRF-CEM 4
23313093 10.1016/j.bmc.2012.11.051 GM15850 4
23313093 10.1016/j.bmc.2012.11.051 NON-PROTEIN TARGET 2
17228860 10.1021/jm060687j Dihydroorotate dehydrogenase 1
23062825 10.1016/j.bmc.2012.09.040 Acetylcholinesterase 1
23062825 10.1016/j.bmc.2012.09.040 Cholinesterase 1
24900738 10.1021/ml400130z NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine