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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1014
CHEMBL1014
Compound Name CANDESARTAN CILEXETIL
ChEMBL Synonyms ATACAND | TCV-116 | AMIAS | RATACAND | CANDESARTAN CILEXETIL | CANDESARTAN
Max Phase 4 (Approved)
Trade Names AMIAS | RATACAND | ATACAND | CANDESARTAN CILEXETIL
Molecular Formula C33H34N6O6

Additional synonyms for CHEMBL1014 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc4ccc(cc4)c5cccc ...
Download SMILES
Standard InChI InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21( ...
Download InChI
Standard InChI Key GHOSNRCGJFBJIB-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1014

Molecule Features

CHEMBL1014 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture 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
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC
Essential HypertensionD000075222EFO:1002032primary hypertension3ClinicalTrials
Respiratory Tract DiseasesD012140EFO:0000684respiratory system disease1ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma3ClinicalTrials
HypertensionD006973EFO:0000537hypertension4ClinicalTrials
DailyMed
DailyMed
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DailyMed
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DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
FDA
PainD010146EFO:0003843pain2ClinicalTrials
ProteinuriaD011507HP:0000093Proteinuria3ClinicalTrials
StrokeD020521EFO:0000712stroke3ClinicalTrials
Diabetes Mellitus, Type 1D003922EFO:0001359type I diabetes mellitus3ClinicalTrials
Heart FailureD006333EFO:0000373congestive heart failure4DailyMed
DailyMed
DailyMed
DailyMed
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DailyMed
Heart FailureD006333EFO:0003144heart failure4ClinicalTrials
Diabetes MellitusD003920EFO:0000400diabetes mellitus2ClinicalTrials

Clinical Data

ClinicalTrials.gov CANDESARTAN CILEXETIL
The Cochrane Collaboration CANDESARTAN CILEXETIL

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
610.7 610.254 6.32 10 143.34 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 1 3 12 1 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.24 3.93 8.12 6.15 5 45 0.14

Structural Alerts

There are 7 structural alerts for CHEMBL1014. 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
C09CA06 - candesartan

ChemSpider ChemSpider:GHOSNRCGJFBJIB-UHFFFAOYSA-N
DailyMed candesartan cilexetil
PubChem SID: 144212519 SID: 26748952

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1014



ACToR 145040-37-5
BindingDB 50318907
ChEBI 3348
ChemicalBook CB3209325
DrugBank DB00796
DrugCentral 475
eMolecules 1985914
EPA CompTox Dashboard DTXSID5020239
Guide to Pharmacology 8352
IBM Patent System 21C7D6BAC0FE36D17BFD3DE41ACCFCE1 E87A46C362FC94681C9B52D82A8874B3 4E31D8A386A562E3EC92C8C8593ADFA5
LINCS LSM-1716
MolPort MolPort-003-666-552 MolPort-020-393-560
Nikkaji J1.640.921I
PubChem 2540
PubChem: Drugs of the Future 12014669
PubChem: Thomson Pharma 57582538 14887395
Selleck Candesartan-cilexetil-Atacand
SureChEMBL SCHEMBL40831

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