benzthiazide ๐Ÿถ Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
diuretics, chlorothiazide derivatives 332 91-33-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • benzthiazide
  • benzothiazide
  • dihydrex
  • lemazide
  • Molecular weight: 431.92
  • Formula: C15H14ClN3O4S3
  • CLOGP: 2.17
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 2
  • TPSA: 118.69
  • ALOGS: -4.55
  • ROTB: 5

  • Status: OFM

  • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

None

ADMET properties:

PropertyValueReference
MRTD (Maximum Recommended Therapeutic Daily Dose) 7.71 ยตM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability) 25 % 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

Approvals:

DateAgencyCompanyOrphan
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:

SourceCodeDescription
CHEBI has role CHEBI:35498 diuretics
CHEBI has role CHEBI:35674 antihypertensive drugs

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
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




๐Ÿถ Veterinary Drug Use

None

๐Ÿถ Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (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:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA 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:

IDSource
4018417 VUID
N0000179049 NUI
D00651 KEGG_DRUG
19008 RXNORM
C0053245 UMLSCUI
CHEBI:3047 CHEBI
CHEMBL1201039 ChEMBL_ID
DB00562 DRUGBANK_ID
C004463 MESH_SUPPLEMENTAL_RECORD_UI
2343 PUBCHEM_CID
7125 IUPHAR_LIGAND_ID
944 INN_ID
1TD8J48L61 UNII
4263 MMSL
d00644 MMSL
400874008 SNOMEDCT_US
66290002 SNOMEDCT_US
4018417 VANDF
002298 NDDF

Pharmaceutical products:

None