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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1763
CHEMBL1763
Compound Name HYDROFLUMETHIAZIDE
ChEMBL Synonyms DIUCARDIN | HYDRENOX | HYDROFLUMETHIAZIDE | SALURON
Max Phase 4 (Approved)
Trade Names HYDROFLUMETHIAZIDE | HYDRENOX | DIUCARDIN | SALURON
Molecular Formula C8H8F3N3O4S2

Additional synonyms for CHEMBL1763 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F
Standard InChI InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)2 ...
Download InChI
Standard InChI Key DMDGGSIALPNSEE-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1763

Molecule Features

CHEMBL1763 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Thiazide-sensitive sodium-chloride cotransporter inhibitor Thiazide-sensitive sodium-chloride cotransporter DOI

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC
ATC

Clinical Data

ClinicalTrials.gov HYDROFLUMETHIAZIDE
The Cochrane Collaboration HYDROFLUMETHIAZIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1763. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.925
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.885
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.880
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.780
CHEMBL1871 Androgen Receptor Homo sapiens 0.289
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.262
CHEMBL5973 Carbonic anhydrase 15 Mus musculus 0.250



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.972
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.957
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.887
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.522
CHEMBL3969 Carbonic anhydrase VB Homo sapiens 0.498
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.493
CHEMBL1871 Androgen Receptor Homo sapiens 0.447
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.390
CHEMBL5102 Vanilloid receptor Rattus norvegicus 0.308
CHEMBL5337 Carbonic anhydrase Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) 0.201

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
331.3 330.9908 0.01 1 118.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.62 - .07 .05 1 20 0.67

Structural Alerts

There are no structural alerts for CHEMBL1763

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C03 - DIURETICS
C03A - LOW-CEILING DIURETICS, THIAZIDES
C03AH - Thiazides, combinations with psycholeptics and/or analgesics
C03AH02 - hydroflumethiazide, combinations

C - CARDIOVASCULAR SYSTEM
C03 - DIURETICS
C03A - LOW-CEILING DIURETICS, THIAZIDES
C03AA - Thiazides, plain
C03AA02 - hydroflumethiazide

ChemSpider ChemSpider:DMDGGSIALPNSEE-UHFFFAOYSA-N
PubChem SID: 11112295 SID: 144203973 SID: 170465082 SID: 26747027 SID: 56422879 SID: 855883
Wikipedia Hydroflumethiazide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1763



ACToR 135-09-1
BindingDB 25897
ChEBI 5784
DrugBank DB00774
DrugCentral 1392
eMolecules 539394
EPA CompTox Dashboard DTXSID3023132
FDA SRS 501CFL162R
Guide to Pharmacology 7197
Human Metabolome Database HMDB0014912
IBM Patent System 811483A098163B4AF5FBB990079C856D
KEGG Ligand C07763
LINCS LSM-5497
Mcule MCULE-8204847370
MolPort MolPort-001-771-232
NIH Clinical Collection SAM002703134
Nikkaji J2.529A
PDBe HFZ
PharmGKB PA164752557
PubChem 3647
PubChem: Thomson Pharma 15025410
SureChEMBL SCHEMBL27028
ZINC ZINC000000897225

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/DMDGGSIALPNSEE-UHFFFAOYSA-N spacer
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