CANDESARTAN CILEXETIL

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII R85M2X0D68
EPA CompTox DTXSID5020239

Structure

InChI Key GHOSNRCGJFBJIB-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
Type-1 angiotensin II receptor antagonist ANTAGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 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
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- 724.44 - 400 5.967-10.55
Unclassified protein
- - - - 87.8-100
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- 724.44 - 400 5.967-10.55
Homo sapiens
- - - - 87.8-100
Oryctolagus cuniculus
- 200 - - -

Target Conservation

Protein: Type-1 angiotensin II receptor
Description: Type-1 angiotensin II receptor
Organism : Homo sapiens
P30556 ENSG00000144891

Related Entries

Cross References

Resources Reference
ChEBI 3348
ChEMBL CHEMBL1014
DrugBank DB00796
DrugCentral 475
FDA SRS R85M2X0D68
Guide to Pharmacology 8352
KEGG C07709
PubChem 2540
SureChEMBL SCHEMBL40831
ZINC ZINC14255250
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