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benzthiazide 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| diuretics, chlorothiazide derivatives | 332 | 91-33-8 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
None
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 7.71 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 15 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| S (Water solubility) | 0.01 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 4 | Bocci G, Oprea TI, Benet LZ |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.664 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 35.156 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 2.466 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 4.355 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 7.450 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 9.030 | % | High | 1 |
| herg | hERG pIC50 | 4.338 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 6.039 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 21.135 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 2.920 | % | High | 1 |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 4.395 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 47.973 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 3.910 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 4.009 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 7.470 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 58.614 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 82.150 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 2.130 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 81.470 | uM | High | 1 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Oct. 14, 1960 | FDA | AH ROBINS INC |
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:35498 | diuretic |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Suicidal thoughts | contraindication | 6471006 | |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Chronic disease of respiratory system | contraindication | 17097001 | |
| Electroconvulsive therapy | contraindication | 23835007 | |
| Depressive disorder | contraindication | 35489007 | |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Chronic heart failure | contraindication | 48447003 | |
| Ulcerative colitis | contraindication | 64766004 | DOID:8577 |
| Epilepsy | contraindication | 84757009 | DOID:1826 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Calculus in biliary tract | contraindication | 266474003 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.99 | acidic |
| pKa2 | 10.02 | acidic |
| pKa3 | 5.33 | 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 |
|---|---|---|---|---|---|---|---|---|---|
| Solute carrier family 12 member 3 | Transporter | INHIBITOR | A2 | 8.17 | WOMBAT-PK | CHEMBL | |||
| Carbonic anhydrase 2 | Enzyme | WOMBAT-PK | |||||||
| Carbonic anhydrase 1 | Enzyme | WOMBAT-PK | |||||||
| Carbonic anhydrase 4 | Enzyme | WOMBAT-PK | |||||||
| Calcium-activated potassium channel subunit alpha-1 | Ion channel | WOMBAT-PK |
External reference:
| ID | Source |
|---|---|
| 4018417 | VUID |
| N0000179049 | NUI |
| D00651 | KEGG_DRUG |
| 19008 | RXNORM |
| C0053245 | UMLSCUI |
| CHEBI:3047 | CHEBI |
| CHEMBL1201039 | ChEMBL_ID |
| DB00562 | DRUGBANK_ID |
| 2343 | PUBCHEM_CID |
| 7125 | IUPHAR_LIGAND_ID |
| C004463 | MESH_SUPPLEMENTAL_RECORD_UI |
| 944 | INN_ID |
| 1TD8J48L61 | UNII |
| 4263 | MMSL |
| d00644 | MMSL |
| 4018417 | VANDF |
| 002298 | NDDF |
| 400874008 | SNOMEDCT_US |
| 66290002 | SNOMEDCT_US |
| 1TD8J48L61 | INXIGHT DRUGS |
Pharmaceutical products:
None