IRBESARTAN

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Synonyms
Status
Molecule Category Free-form
ATC C09CA04
UNII J0E2756Z7N
EPA CompTox DTXSID0023169

Structure

InChI Key YOSHYTLCDANDAN-UHFFFAOYSA-N
Smiles CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
InChI
InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H28N6O
Molecular Weight 428.54
AlogP 4.78
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 87.13
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Type-1 angiotensin II receptor antagonist ANTAGONIST FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Angiotensin receptor
- 0.9-20.8 - 0.8-2 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Leukotriene receptor
410 - - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor
- - - - 50
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 47.18-76.05
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 15
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 47.18-76.05
Homo sapiens
410 4-320 - 0.8 15-50
Oryctolagus cuniculus
- 4-4 - - -
Rattus norvegicus
- 0.58-3.11 - 0.41-2.75 -

Target Conservation

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

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia

Cross References

Resources Reference
ChEBI 5959
ChEMBL CHEMBL1513
DrugBank DB01029
DrugCentral 1481
FDA SRS J0E2756Z7N
Human Metabolome Database HMDB0015163
Guide to Pharmacology 589
KEGG C07469
PharmGKB PA450084
SureChEMBL SCHEMBL4246
ZINC ZINC000003872931
CONTENTS