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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL406
CHEMBL406
Compound Name INDAPAMIDE
ChEMBL Synonyms TENSAID XL | NINDAXA 2.5 | ETHIBIDE XL | CARDIDE SR | MAPEMID XL | OPUMIDE 2.5 | RAWEL XL | LOZOL | INDIPAM XL | INDAPAMIDE | NATRILIX | VARBIM XL | NATRILIX SR | INDAXA 2.5
Max Phase 4 (Approved)
Trade Names CARDIDE SR | INDAPAMIDE | INDIPAM XL | MAPEMID XL | NATRILIX SR | INDAXA 2.5 | TENSAID XL | ETHIBIDE XL | OPUMIDE 2.5 | RAWEL XL | LOZOL | NATRILIX | VARBIM XL | NINDAXA 2.5
Molecular Formula C16H16ClN3O3S

Additional synonyms for CHEMBL406 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)S(=O)(=O)N
Standard InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16( ...
Download InChI
Standard InChI Key NDDAHWYSQHTHNT-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • 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


CHEMBL406

Molecule Features

CHEMBL406 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture 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 FDA ISBN

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Kidney CalculiD007669EFO:0003845kidney stone2ClinicalTrials
HypertensionD006973EFO:0000537hypertension3ClinicalTrials
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus3ClinicalTrials

Clinical Data

ClinicalTrials.gov INDAPAMIDE
The Cochrane Collaboration INDAPAMIDE

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 CHEMBL406. 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
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 1.000
CHEMBL3912 Carbonic anhydrase XIII Homo sapiens 1.000
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.999
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.998
CHEMBL3729 Carbonic anhydrase IV Homo sapiens 0.805
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.712



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 1.000
CHEMBL3912 Carbonic anhydrase XIII Homo sapiens 0.999
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.997
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.994
CHEMBL1293222 Nucleotide-binding oligomerization domain-containing protein 1 Homo sapiens 0.985
CHEMBL1293266 Nucleotide-binding oligomerization domain-containing protein 2 Homo sapiens 0.949
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.887
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 0.690
CHEMBL1947 Thyroid hormone receptor beta-1 Homo sapiens 0.219

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
365.8 365.0601 2.08 3 92.5 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.35 1.87 1.96 1.96 2 24 0.87

Structural Alerts

There are 2 structural alerts for CHEMBL406. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C03 - DIURETICS
C03B - LOW-CEILING DIURETICS, EXCL. THIAZIDES
C03BA - Sulfonamides, plain
C03BA11 - indapamide

ChemSpider ChemSpider:NDDAHWYSQHTHNT-UHFFFAOYSA-N
DailyMed indapamide
PubChem SID: 124883405 SID: 144204326 SID: 144206733 SID: 144213004 SID: 170465366 SID: 26747199 SID: 56422467 SID: 855885
Wikipedia Indapamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL406



ACToR 26807-65-8
BindingDB 25901
Brenda 6336
ChEBI 5893
ChemicalBook CB2420420
DrugBank DB00808
DrugCentral 1433
eMolecules 539574
EPA CompTox Dashboard DTXSID7044633
Guide to Pharmacology 7203
Human Metabolome Database HMDB0014946
IBM Patent System 533F884A03A880196A05C8B4C8238C53
LINCS LSM-1936
Mcule MCULE-1549472772
MolPort MolPort-003-666-209
NIH Clinical Collection SAM002564214
Nikkaji J10.425F
PharmGKB PA449975
PubChem 3702
PubChem: Thomson Pharma 14828553
Selleck Indapamide(Lozol)
SureChEMBL SCHEMBL41303

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