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thioctic acid 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4732 | 1077-28-7 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
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.
|
Drug dosage:
| Dose | Unit | Route |
|---|---|---|
| 0.60 | g | O |
| 0.60 | g | P |
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 30 % | 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 |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 52 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK9,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,MAP2K6,MAPK7,MAPK8,PRKDC,STK33,TEK,TGFBR1,TTK | 17 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
FDA Adverse Event Reporting System (Female)
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Hepatic necrosis | 198.00 | 64.06 | 31 | 255 | 6407 | 90621754 |
| Hepatic encephalopathy | 174.45 | 64.06 | 31 | 255 | 13741 | 90614420 |
| Hepatotoxicity | 153.86 | 64.06 | 34 | 252 | 45808 | 90582353 |
| Hepatic cirrhosis | 127.33 | 64.06 | 31 | 255 | 63222 | 90564939 |
| Drug-induced liver injury | 116.36 | 64.06 | 31 | 255 | 90287 | 90537874 |
| Drug interaction | 85.91 | 64.06 | 32 | 254 | 276421 | 90351740 |
FDA Adverse Event Reporting System (Male)
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Basal cell carcinoma | 59.62 | 49.28 | 17 | 347 | 22716 | 42598255 |
FDA Adverse Event Reporting System (Geriatric)
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Hepatic necrosis | 162.60 | 50.35 | 31 | 656 | 9891 | 110578721 |
| Hepatic encephalopathy | 130.27 | 50.35 | 31 | 656 | 28225 | 110560387 |
| Hepatotoxicity | 118.81 | 50.35 | 34 | 653 | 63366 | 110525246 |
| Hepatic cirrhosis | 107.81 | 50.35 | 32 | 655 | 67594 | 110521018 |
| Drug-induced liver injury | 97.43 | 50.35 | 34 | 653 | 120033 | 110468579 |
| Drug interaction | 68.95 | 50.35 | 41 | 646 | 500142 | 110088470 |
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| 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 | D014803 | Vitamin B Complex |
| MeSH PA | D014815 | Vitamins |
| MeSH PA | D018977 | Micronutrients |
| MeSH PA | D020011 | Protective Agents |
| CHEBI has role | CHEBI:78675 | fundamental metabolite |
| CHEBI has role | CHEBI:176497 | geroprotector |
Related Drugs by ATC class:
A16AX Various alimentary tract and metabolism products 23 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| 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 level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 5.05 | acidic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Enzyme | IC50 | 9 | CHEMBL | |||||
| SUMO-activating enzyme | Enzyme | IC50 | 5.32 | CHEMBL | |||||
| TAR DNA-binding protein 43 | Cytosolic other | IC50 | 4.70 | CHEMBL | |||||
| Bifunctional protein GlmU | Enzyme | IC50 | 5.41 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| D00086 | KEGG_DRUG |
| 4021484 | VUID |
| N0000148863 | NUI |
| 4021443 | VANDF |
| 4021484 | VANDF |
| CHEBI:16494 | CHEBI |
| LPA | PDB_CHEM_ID |
| CHEMBL33864 | ChEMBL_ID |
| CHEMBL134342 | ChEMBL_ID |
| DB00166 | DRUGBANK_ID |
| 6417 | RXNORM |
| 107951 | MMSL |
| 163055 | MMSL |
| 163060 | MMSL |
| 23416 | MMSL |
| 397220 | MMSL |
| NOCODE | MMSL |
| d06655 | MMSL |
| 006470 | NDDF |
| 70496003 | SNOMEDCT_US |
| 715405004 | SNOMEDCT_US |
| C0023791 | UMLSCUI |
| D008063 | MESH_DESCRIPTOR_UI |
| 864 | PUBCHEM_CID |
| 4822 | IUPHAR_LIGAND_ID |
| 73Y7P0K73Y | UNII |
Pharmaceutical products:
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Strovite OneCaplets | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0642-0207 | TABLET | 15 mg | ORAL | unapproved drug other | 14 sections |
| Vita-Rx Diabetic Vitamin | HUMAN PRESCRIPTION DRUG LABEL | 14 | 69677-050 | CAPSULE, GELATIN COATED | 150 mg | ORAL | unapproved drug other | 5 sections |