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dichloroacetic acid 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 862 | 2156-56-1 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
A derivative of ACETIC ACID that contains two CHLORINE atoms attached to its methyl group.
|
Drug dosage:
None
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 387.78 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Vd (Volume of distribution) | 0.19 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 5.30 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 0.65 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 86.30 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT3,ALK,AURKA,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT1,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,MAP2K6,MAP3K14,MAP3K2,MAP3K21,MAP3K3,MAP3K7,MAP4K1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK1,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 | 70 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK9,EIF2AK3,EPHB4,GRK2,MAP2K6,MAPK7,PIK3CG,PRKDC,TEK,TGFBR1 | 13 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
Approvals:
None
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:
| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:35526 | hypoglycemic agent |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:74783 | astringent |
| CHEBI has role | CHEBI:76507 | marine metabolite |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Verruca | indication | 30285000 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.28 | 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 |
|---|---|---|---|---|---|---|---|---|---|
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial | Kinase | INHIBITOR | Ki | 3 | SCIENTIFIC LITERATURE | ||||
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | Kinase | INHIBITOR | Ki | 3.70 | SCIENTIFIC LITERATURE | ||||
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial | Kinase | INHIBITOR | Ki | 2.10 | SCIENTIFIC LITERATURE | ||||
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | Kinase | INHIBITOR | Ki | 3.30 | SCIENTIFIC LITERATURE |
External reference:
| ID | Source |
|---|---|
| 4019102 | VUID |
| N0000185646 | NUI |
| D05857 | KEGG_DRUG |
| 1366930 | RXNORM |
| 4019102 | VANDF |
| C0600203 | UMLSCUI |
| CHEBI:36386 | CHEBI |
| TF4 | PDB_CHEM_ID |
| CHEMBL13960 | ChEMBL_ID |
| 6597 | PUBCHEM_CID |
| DB08809 | DRUGBANK_ID |
| CHEMBL306823 | ChEMBL_ID |
| D003999 | MESH_DESCRIPTOR_UI |
| 9LSH52S3LQ | UNII |
| DB16929 | DRUGBANK_ID |
| 4579 | MMSL |
| 001958 | NDDF |
| 009751 | NDDF |
| 79-43-6 | SECONDARY_CAS_RN |
| C402143 | MESH_SUPPLEMENTAL_RECORD_UI |
| 9LSH52S3LQ | INXIGHT DRUGS |
Pharmaceutical products:
None