LIPOIC ACID, ALPHA

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 73Y7P0K73Y

Structure
InChI Key AGBQKNBQESQNJD-UHFFFAOYSA-N
Smile O=C(O)CCCCC1CCSS1
InChI
InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14O2S2
Molecular Weight 206.33
AlogP 2.79
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Aminoacyltransferase
- 620-4740 - - -
Enzyme Hydrolase
- 1 - - -
Enzyme Oxidoreductase
- 0 - - 29.1
Enzyme Transferase
- - - - 14.23-24.81
Enzyme
- 620-4740 - - 14.23-24.81
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 7.9-7.98
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2
2800 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 103.33
Unclassified protein
- 620-4740 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Kidney Diseases 3 D007674 ClinicalTrials
Stroke 3 D020521 ClinicalTrials
Diabetic Neuropathies 3 D003929 ClinicalTrials
Diabetes Mellitus, Type 1 3 D003922 ClinicalTrials
Diabetic Neuropathies 3 D003929 ClinicalTrials
Multiple Sclerosis, Chronic Progressive 2 D020528 ClinicalTrials
Multiple Sclerosis, Chronic Progressive 2 D020528 ClinicalTrials
Polyradiculoneuropathy, Chronic Inflammatory Demyelinating 2 D020277 ClinicalTrials
Mucositis 2 D052016 ClinicalTrials
Multiple Sclerosis, Chronic Progressive 2 D020528 ClinicalTrials
Acquired Immunodeficiency Syndrome 2 D000163 ClinicalTrials
Renal Insufficiency, Chronic 2 D051436 ClinicalTrials
Hypercholesterolemia 2 D006937 ClinicalTrials
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Multiple Sclerosis 2 D009103 ClinicalTrials
Cystinuria 2 D003555 ClinicalTrials
Adrenoleukodystrophy 2 D000326 ClinicalTrials
Cicatrix 2 D002921 ClinicalTrials
Sepsis 2 D018805 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
HIV Infections 2 D015658 ClinicalTrials
Sleep Apnea, Obstructive 2 D020181 ClinicalTrials
Carpal Tunnel Syndrome 2 D002349 ClinicalTrials
Hypertension 1 D006973 ClinicalTrials
Supranuclear Palsy, Progressive 1 D013494 ClinicalTrials
Optic Neuritis 1 D009902 ClinicalTrials
Alzheimer Disease 1 D000544 ClinicalTrials
Macular Degeneration 1 D008268 ClinicalTrials
Cognitive Dysfunction 1 D060825 ClinicalTrials
Carcinoma, Squamous Cell 1 D002294 ClinicalTrials
Peripheral Nervous System Diseases 1 D010523 ClinicalTrials

Cross References

Resources Reference
ChEBI 16494
ChEMBL CHEMBL33864
DrugBank DB00166
DrugCentral 4732
EPA CompTox DTXSID7025508
FDA SRS 73Y7P0K73Y
KEGG C00725
PubChem 864
SureChEMBL SCHEMBL51065
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