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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL57242
CHEMBL57242
Compound Name AZILSARTAN
ChEMBL Synonyms TAK-536 | AZILSARTAN
Max Phase 3
Trade Names
Molecular Formula C25H20N4O5

Additional synonyms for CHEMBL57242 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1nc2cccc(C(=O)O)c2n1Cc3ccc(cc3)c4ccccc4c5noc(O)n5
Standard InChI InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20 ...
Download InChI
Standard InChI Key KGSXMPPBFPAXLY-UHFFFAOYSA-N

Sources

  • Clinical Candidates
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL57242

Molecule Features

CHEMBL57242 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
Type-1 angiotensin II receptor antagonist Type-1 angiotensin II receptor PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Diabetes MellitusD003920EFO:0000400diabetes mellitus2ClinicalTrials
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus3ClinicalTrials
HypertensionD006973EFO:0000537hypertension3ClinicalTrials
Essential HypertensionD000075222EFO:1002032primary hypertension3ClinicalTrials

Clinical Data

ClinicalTrials.gov AZILSARTAN
The Cochrane Collaboration AZILSARTAN

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 CHEMBL57242. 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
CHEMBL3374 Angiotensin II type 1a (AT-1a) receptor Bos taurus 1.000
CHEMBL227 Type-1 angiotensin II receptor Homo sapiens 1.000
CHEMBL263 Type-1B angiotensin II receptor Rattus norvegicus 1.000
CHEMBL3948 Angiotensin II type 1a (AT-1a) receptor Oryctolagus cuniculus 0.997
CHEMBL329 Type-1A angiotensin II receptor Rattus norvegicus 0.987
CHEMBL2083 Fatty acid binding protein adipocyte Homo sapiens 0.964
CHEMBL4607 Angiotensin II type 2 (AT-2) receptor Homo sapiens 0.793
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.641



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3374 Angiotensin II type 1a (AT-1a) receptor Bos taurus 1.000
CHEMBL227 Type-1 angiotensin II receptor Homo sapiens 1.000
CHEMBL263 Type-1B angiotensin II receptor Rattus norvegicus 1.000
CHEMBL3948 Angiotensin II type 1a (AT-1a) receptor Oryctolagus cuniculus 0.994
CHEMBL329 Type-1A angiotensin II receptor Rattus norvegicus 0.990
CHEMBL2083 Fatty acid binding protein adipocyte Homo sapiens 0.973
CHEMBL4607 Angiotensin II type 2 (AT-2) receptor Homo sapiens 0.858
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.700

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
456.5 456.1434 4.6 7 123.5 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.05 5.53 5.96 1.85 5 34 0.36

Structural Alerts

There are no structural alerts for CHEMBL57242

Compound Cross References

ChemSpider ChemSpider:KGSXMPPBFPAXLY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL57242



ACToR 147403-03-0
BindingDB 50055441
Brenda 198474
ChEBI 68850
ChemicalBook CB21090899
eMolecules 36905408 36762351
EPA CompTox Dashboard DTXSID70163712
FDA SRS F9NUX55P23
Guide to Pharmacology 6901
IBM Patent System E6AD26B02DE7B12F0BBCAD12F705D8CE AA3B5F0D3A7F2286A723588240CA088A
MolPort MolPort-023-219-167 MolPort-023-220-072
Nikkaji J1.508.256I
PubChem 9825285
PubChem: Thomson Pharma 14833581 14784428
Selleck azilsartan-tak-536
SureChEMBL SCHEMBL167538
ZINC ZINC000000598390

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