CANDESARTAN CILEXETIL

Search structure
Trade Names:
Synonyms:
Status: Approved (1998)
Entry Type: Small molecule
Molecule Category: Parent Prodrug
UNII: R85M2X0D68

Structure
InChI Key GHOSNRCGJFBJIB-UHFFFAOYSA-N
Smile CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI
InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H34N6O6
Molecular Weight 610.67
AlogP 6.32
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 143.34
Molecular species ACID
Aromatic Rings 5.0
Heavy Atoms 45.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Type-1 angiotensin II receptor antagonist DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- 42000 - - -
Enzyme Transferase
- 11200 - - 100
Enzyme
- 5600-9200 - - 100
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Angiotensin receptor
- 200 - - 36-87
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 3
4200 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- 2455 - 1900 11
Unclassified protein
- 16430 - - 100

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Angina, Stable 4 D060050 ClinicalTrials
Heart Failure 4 D006333 ClinicalTrials
Proteinuria 3 D011507 ClinicalTrials
Coronary Disease 3 D003327 ClinicalTrials
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Atherosclerosis 3 D050197 ClinicalTrials
Renal Artery Obstruction 3 D012078 ClinicalTrials
Essential Hypertension 3 D000075222 ClinicalTrials
Hypertension, Renovascular 3 D006978 ClinicalTrials
Diabetes Mellitus, Type 1 3 D003922 ClinicalTrials
Hypercholesterolemia 3 D006937 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Pain 2 D010146 ClinicalTrials

Related Entries

Scaffolds

Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
12.15
Nervous system disorders
10.03
Vascular disorders
9.97
Cardiac disorders
7.42
Investigations
6.82
Gastrointestinal disorders
6.78
Respiratory, thoracic and mediastinal disorders
6.25
Musculoskeletal and connective tissue disorders
6.02
Injury, poisoning and procedural complications
5.42
Psychiatric disorders
4.05
Skin and subcutaneous tissue disorders
4.01
Metabolism and nutrition disorders
3.83
Renal and urinary disorders
3.09
Immune system disorders
2.67

Cross References

Resources Reference
CAS NUMBER 145040-37-5
ChEBI 3348
ChEMBL CHEMBL1014
DrugBank DB00796
DrugCentral 475
EPA CompTox DTXSID5020239
FDA SRS R85M2X0D68
Guide to Pharmacology 8352
KEGG C07709
PubChem 2540
SureChEMBL SCHEMBL40831
ZINC ZINC14255250
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