thioctic acid 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
4732 1077-28-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • thioctic acid
  • lipothion
  • thioctacid
  • thioctsan
  • tioctacid
  • (RS)-Lipoic acid
  • alpha-lipoic acid
  • alpha lipoic acid
  • lipoic acid
An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS.
  • Molecular weight: 206.32
  • Formula: C8H14O2S2
  • CLOGP: 2.39
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 1
  • TPSA: 37.30
  • ALOGS: -2.96
  • ROTB: 5

Drug dosage:

DoseUnitRoute
0.60 g O
0.60 g P

ADMET properties:

PropertyValueReference
BA (Bioavailability) 29 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
Vd (Volume of distribution) 0.10 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 11.50 mL/min/kg Lombardo F, Berellini G, Obach RS
t_half (Half-life) 0.21 hours Lombardo F, Berellini G, Obach RS

Approvals:

DateAgencyCompanyOrphan
None FDA

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC A16AX01 ALIMENTARY TRACT AND METABOLISM
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Various alimentary tract and metabolism products
MeSH PA D000975 Antioxidants
MeSH PA D018977 Micronutrients
MeSH PA D020011 Protective Agents
MeSH PA D014803 Vitamin B Complex
MeSH PA D014815 Vitamins
CHEBI has role CHEBI:78675 fundamental metabolites
CHEBI has role CHEBI:176497 geroprotectors
CHEBI has role CHEBI:23357 cofactor
CHEBI has role CHEBI:26348 prosthetic groups
CHEBI has role CHEBI:50733 Dietary Supplement

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Diabetic peripheral neuropathy indication 424736006
Obstruction of bile duct contraindication 30144000
Low blood pressure contraindication 45007003
Disease of liver contraindication 235856003 DOID:409




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 5.05 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Acetylcholinesterase Enzyme IC50 9 CHEMBL
SUMO-activating enzyme Enzyme IC50 5.32 CHEMBL
TAR DNA-binding protein 43 Unclassified IC50 4.70 CHEMBL
Bifunctional protein GlmU Enzyme IC50 5.41 CHEMBL

External reference:

IDSource
D00086 KEGG_DRUG
4021484 VUID
N0000148863 NUI
4021443 VANDF
4021484 VANDF
CHEBI:30314 CHEBI
LPA PDB_CHEM_ID
CHEMBL33864 ChEMBL_ID
CHEMBL134342 ChEMBL_ID
4822 IUPHAR_LIGAND_ID
DB00166 DRUGBANK_ID
864 PUBCHEM_CID
6417 RXNORM
107951 MMSL
23416 MMSL
NOCODE MMSL
d06655 MMSL
006470 NDDF
70496003 SNOMEDCT_US
715405004 SNOMEDCT_US
D008063 MESH_DESCRIPTOR_UI
C0023791 UMLSCUI
73Y7P0K73Y UNII

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Strovite One Caplets HUMAN PRESCRIPTION DRUG LABEL 20 0642-0207 TABLET 15 mg ORAL UNAPPROVED DRUG OTHER 14 sections
Organdrainex HUMAN OTC DRUG LABEL 13 44911-0457 LIQUID 12 [hp_X] ORAL unapproved drug other 9 sections
Vita-Rx Diabetic Vitamin HUMAN PRESCRIPTION DRUG LABEL 14 65121-301 CAPSULE, GELATIN COATED 150 mg ORAL unapproved drug other 5 sections
Vita-Rx Diabetic Vitamin HUMAN PRESCRIPTION DRUG LABEL 14 69677-050 CAPSULE, GELATIN COATED 150 mg ORAL unapproved drug other 5 sections