IRBESARTAN

Search structure
Synonyms:
Status: Approved (1997)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C09CA04
UNII: J0E2756Z7N

Structure
InChI Key YOSHYTLCDANDAN-UHFFFAOYSA-N
Smile CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)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

Action Mechanism of Action Reference
ANTAGONIST Type-1 angiotensin II receptor 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
- 1-1 - 1-2 -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Endothelin receptor
- - - 10000 -
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 SLC10 family of sodium-bile acid co-transporters
- 30000 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 47
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 15
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 7300-7310 - - -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 21100 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 4 D003924 ClinicalTrials
Atrial Fibrillation 3 D001281 ClinicalTrials
Glomerulonephritis, IGA 3 D005922 ClinicalTrials
Sepsis 3 D018805 ClinicalTrials
Ehlers-Danlos Syndrome 3 D004535 ClinicalTrials
Renal Insufficiency, Chronic 3 D051436 ClinicalTrials
Hypercholesterolemia 3 D006937 ClinicalTrials
Hepatitis C, Chronic 3 D019698 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials
Glomerulosclerosis, Focal Segmental 3 D005923 ClinicalTrials
Myocardial Ischemia 3 D017202 ClinicalTrials
Marfan Syndrome 2 D008382 ClinicalTrials
Essential Hypertension 2 D000075222 ClinicalTrials
Hemorrhagic Fever, Ebola 1 D019142 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 5959
ChEMBL CHEMBL1513
DrugBank DB01029
DrugCentral 1481
EPA CompTox DTXSID0023169
FDA SRS J0E2756Z7N
Human Metabolome Database HMDB0015163
Guide to Pharmacology 589
KEGG C07469
PharmGKB PA450084
SureChEMBL SCHEMBL4246
ZINC ZINC000003872931
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