valsartan   Click here for help

GtoPdb Ligand ID: 3937

Synonyms: CGP-48933 | Diovan® | Prexxartan® (oral solution)
Approved drug PDB Ligand
valsartan is an approved drug (FDA (2012))
Compound class: Synthetic organic
Comment: Valsartan is an antagonist with high affinity for the type I (AT1) angiotensin receptor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 112.07
Molecular weight 435.23
XLogP 5.79
No. Lipinski's rules broken 1
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Canonical SMILES CCCCC(=O)N(C(C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1
Isomeric SMILES CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1
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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2012))
IUPAC Name Click here for help
(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
International Nonproprietary Names Click here for help
INN number INN
7016 valsartan
Synonyms Click here for help
CGP-48933 | Diovan® | Prexxartan® (oral solution)
Database Links Click here for help
Specialist databases
GPCRdb Ligand valsartan
Reactome Drug Reactome logo R-ALL-9615299
Reactome Reaction Reactome logo R-HSA-9615249
Other databases
CAS Registry No. 137862-53-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1069
DrugBank Ligand DB00177
DrugCentral Ligand 2806
GtoPdb PubChem SID 178100765
PubChem CID 60846
RCSB PDB Ligand U35
Search Google for chemical match using the InChIKey ACWBQPMHZXGDFX-QFIPXVFZSA-N
Search Google for chemicals with the same backbone ACWBQPMHZXGDFX
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UniChem Compound Search for chemical match using the InChIKey ACWBQPMHZXGDFX-QFIPXVFZSA-N
UniChem Connectivity Search for chemical match using the InChIKey ACWBQPMHZXGDFX-QFIPXVFZSA-N
Wikipedia Valsartan

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Valsartan (links to external site)
Cat. No. 4216