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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2028661
CHEMBL2028661
Compound Name AZILSARTAN MEDOXOMIL
ChEMBL Synonyms TAK-491 | AZILSARTAN MEDOXOMIL | AZILSARTAN KAMEDOXOMIL | EDARBI
Max Phase 4 (Approved)
Trade Names EDARBI
Molecular Formula C30H24N4O8

Additional synonyms for CHEMBL2028661 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1nc2cccc(C(=O)OCC3=C(C)OC(=O)O3)c2n1Cc4ccc(cc4)c5ccccc5C ...
Download SMILES
Standard InChI InChI=1S/C30H24N4O8/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-2 ...
Download InChI
Standard InChI Key QJFSABGVXDWMIW-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2028661

Molecule Features

CHEMBL2028661 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:Y Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Essential HypertensionD000075222EFO:1002032primary hypertension3ClinicalTrials
HypertensionD006973EFO:0000537hypertension4ClinicalTrials
DailyMed
DailyMed
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC

Clinical Data

ClinicalTrials.gov AZILSARTAN MEDOXOMIL
The Cochrane Collaboration AZILSARTAN MEDOXOMIL

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2028661. 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
CHEMBL329 Type-1A angiotensin II receptor Rattus norvegicus 1.000
CHEMBL227 Type-1 angiotensin II receptor Homo sapiens 1.000
CHEMBL263 Type-1B angiotensin II receptor Rattus norvegicus 0.811
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.398
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.205



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
CHEMBL329 Type-1A angiotensin II receptor Rattus norvegicus 1.000
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.692
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.677
CHEMBL6101 Signal transducer and activator of transcription 1-alpha/beta Homo sapiens 0.501
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.430
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.215

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
568.5 568.1594 4.71 9 155.59 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 1 2 12 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.99 4.07 5.64 5.1 6 42 0.24

Structural Alerts

There are 4 structural alerts for CHEMBL2028661. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C09 - AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
C09C - ANGIOTENSIN II ANTAGONISTS, PLAIN
C09CA - Angiotensin II antagonists, plain
C09CA09 - azilsartan medoxomil

ChemSpider ChemSpider:QJFSABGVXDWMIW-UHFFFAOYSA-N
DailyMed azilsartan kamedoxomil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2028661



ACToR 863031-21-4
Brenda 198475
ChEBI 68845
DrugBank DB08822
DrugCentral 4322
EPA CompTox Dashboard DTXSID10235482
FDA SRS LL0G25K7I2
Guide to Pharmacology 6900
IBM Patent System 7DDE036D3953A2F8B67664EA4F4C94E8 3AD3CC1A7FF149FEA1B6ED08CF2D7DEB
MolPort MolPort-023-299-404 MolPort-019-879-198
Nikkaji J2.748.955I
PubChem 11238823
PubChem: Thomson Pharma 16432925
Selleck azilsartan-medoxomil-tak-491
SureChEMBL SCHEMBL683374
ZINC ZINC000014210642

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