VATIQUINONE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6O85FK9I0X

Structure
InChI Key LNOVHERIIMJMDG-XZXLULOTSA-N
Smile CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
InChI
InChI=1S/C29H44O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h12,14,16,32H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H44O3
Molecular Weight 440.67
AlogP 7.52
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 54.37
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Quinone reductase 1) modulator PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Mitochondrial Diseases 2 D028361 ClinicalTrials
Friedreich Ataxia 2 D005621 ClinicalTrials
Child Development Disorders, Pervasive 2 D002659 ClinicalTrials
Rett Syndrome 2 D015518 ClinicalTrials
Parkinson Disease 2 D010300 ClinicalTrials
Hearing Loss, Noise-Induced 2 D006317 ClinicalTrials
Leigh Disease 2 D007888 ClinicalTrials
Muscular Diseases 1 D009135 ClinicalTrials
Tourette Syndrome 1 D005879 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1812161
DrugBank DB11917
EPA CompTox DTXSID90153231
FDA SRS 6O85FK9I0X
PubChem 46184405
SureChEMBL SCHEMBL503125
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