VALSARTAN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C09CA03
UNII 80M03YXJ7I

Structure

InChI Key ACWBQPMHZXGDFX-QFIPXVFZSA-N
Smiles CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C
InChI
InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29N5O3
Molecular Weight 435.53
AlogP 4.16
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 112.07
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
- 1.9-7.4 - 3 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 12.3-67.47
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 56.31-67.47
Homo sapiens
- 7.4 - 3 12.3-62.2
Oryctolagus cuniculus
- 1.4-1.4 - - -
Rattus norvegicus
- 2.64-3.4 - 2.08-2.22 97

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
Slovenia

Cross References

Resources Reference
ChEBI 9927
ChEMBL CHEMBL1069
DrugBank DB00177
DrugCentral 2806
FDA SRS 80M03YXJ7I
Human Metabolome Database HMDB0014323
Guide to Pharmacology 593
PharmGKB PA451848
PubChem 60846
SureChEMBL SCHEMBL2542
ZINC ZINC000003875259
CONTENTS