CAS 145216-43-9|5-[(dibutyl-1H-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]pyridine|forasartan|Forasartan|forasartan|forasartan|SC 52458|forasartanum|5-[(3,5-dibutyl-1,2,4-triaz...

General Information

Structure

Molecular Formula

C₂₃H₂₈N₈

Molecular Mass

416.52202

Exact Mass

416.24369294

Charge

InChI

InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17-13-14-20(24-15-17)18-9-7-8-10-19(18)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)

InChIKey

YONOBYIBNBCDSJ-UHFFFAOYSA-N

Canonic Smiles

CCCCc1nc(nn1Cc1ccc(nc1)c1ccccc1c1n[nH]nn1)CCCC

Isomeric Smiles

n1(nc(nc1CCCC)CCCC)Cc1ccc(nc1)c1c(cccc1)c1n[nH]nn1

Calculated Properties

JChem

LogD (pH = 7.4)

3.73

LogD (pH = 5.5)

4.13

Log P

4.83

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

4.25

Polar Surface Area

98.06

Polarizability

46.75

Molar Refractivity

145.44

LOG S

-5.38

Data Source

Academic Data

Data Source

Names and Identifiers

Synonyms

ForasartanforasartanSC 52458SC-52458

IUPAC name

5-[(dibutyl-1H-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]pyridine 5-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl]-2-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]pyridine

IUPAC Traditional name

forasartan 5-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]-2-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]pyridine

International Nonproprietary Name (INN)

forasartanforasartanum

Names and Identifiers

Registration numbers

PubChem CID

132706

PubChem SID

4650569816096463685341222

CAS Number

145216-43-9

CHEMBL

CHEMBL315021

PubMed Citation Links

7505365898106591563529194514

Reactom Database

R-HSA-374173R-HSA-9615249

MetaboLights Database

MTBLS2145MTBLS1918MTBLS2871

DrugBank ID

Wikipedia Title

Reaxys Registry

HMDB Database

CompTox Database

SureChEMBL Database

CHEBI ID

KEGG DRUG Database

BindingDB Database

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

DrugBank

DB01342

Drug Groups

approved

Description

Forasartan, a specific angiotensin II antagonist, is used alone or with other antihypertensive agents to treat hypertension. Forasartan competes with angiotensin II for binding at the AT1 receptor subtype. As angiotensin II is a vasoconstrictor which also stimulates the synthesis and release of aldosterone, blockage of its effects results in a decreases in systemic vascular resistance.

Indication

For the treatment of hypertension.

Pharmacology

Forasartan, a specific angiotensin II antagonist, is used alone or with other antihypertensive agents to treat hypertension. By inhibiting angiotensin II receptors, this drug leads to a decrease in sodium reabsorption (which decreases water content of blood) and a decrease in vasoconstriction. Combined, this has the effect of lowering blood pressure.

Affected Organisms

Humans and other mammals

ChEBI

CHEBI:141552

A member of the class of pyridines that is pyridine which is substituted at positions 2 and 5 by o-(tetrazol-5-yl)phenyl and (3,5-dibutyl-1,2,4-triazol-1-yl)methyl groups, respectively. It is a nonpeptide antagonist of angiotensin II, type 1 (AT1) receptors, used for the treatment of hypertension.

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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