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thioacetazone 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2631 | 104-06-3 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
A thiosemicarbazone that is used in association with other antimycobacterial agents in the initial and continuation phases of antituberculosis regimens. Thiacetazone containing regimens are less effective than the short-course regimen recommended by the International Union Against Tuberculosis and are used in some developing countries to reduce drug costs. (From Martindale, The Extra Pharmacopoeia, 30th ed, p217)
|
Drug dosage:
None
ADMET properties:
None
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.844 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 20.417 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 3.467 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 2.028 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 58.880 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 66.150 | % | High | 1 |
| herg | hERG pIC50 | 3.833 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.102 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.990 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 46.210 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EIF2AK3,EPHA2,EPHB4,ERBB2,FGFR1,FLT3,GRK2,GRK3,GSK3B,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K1,MAP3K11,MAP3K14,MAP3K21,MAP3K3,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM1,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ULK2 | 79 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AURKA,AURKB,AURKC,AXL,BRAF,CAMK2D,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,MAP2K3,MAP2K6,MAP3K21,MAPK12,MAPK7,MARK4,NTRK3,PIM3,SGK1,SIK2,STK10,STK33,TEK,TTK,ULK1 | 32 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 5.176 | High | 1 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 4.699 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 5.321 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 70.910 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 4.487 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 58.270 | % | High | 1 |
| rat-kpuu-brain | Rat brain Kpuu | 0.027 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.030 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 92.980 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 44.160 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 353.183 | uM | High | 1 |
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 |
|---|---|---|
| ATC | J04AK07 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIMYCOBACTERIALS DRUGS FOR TREATMENT OF TUBERCULOSIS Other drugs for treatment of tuberculosis |
| ATC | J04AM04 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIMYCOBACTERIALS DRUGS FOR TREATMENT OF TUBERCULOSIS Combinations of drugs for treatment of tuberculosis |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| MeSH PA | D000995 | Antitubercular Agents |
| CHEBI has role | CHEBI:33231 | antitubercular agent |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
Related Drugs by ATC class:
J04AK Other drugs for treatment of tuberculosis 7 drugs
J04AM Combinations of drugs for treatment of tuberculosis 11 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Pulmonary tuberculosis | indication | 154283005 | DOID:2957 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.38 | acidic |
| pKa2 | 11.42 | acidic |
| pKa3 | 13.37 | acidic |
| pKa4 | 2.45 | Basic |
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 |
|---|---|---|---|---|---|---|---|---|---|
| Polyphenol oxidase 2 | Enzyme | IC50 | 4.85 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| D08584 | KEGG_DRUG |
| C0039834 | UMLSCUI |
| CHEBI:748775 | CHEBI |
| CHEMBL375492 | ChEMBL_ID |
| 9568512 | PUBCHEM_CID |
| DB12829 | DRUGBANK_ID |
| D013828 | MESH_DESCRIPTOR_UI |
| 252 | INN_ID |
| MMG78X7SSR | UNII |
Pharmaceutical products:
None