valsartan   Click here for help

GtoPdb Ligand ID: 3937

Synonyms: CGP-48933 | Diovan® | Prexxartan® (oral solution)
Approved drug
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
SMILES / InChI / InChIKey
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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
InChI Key ACWBQPMHZXGDFX-QFIPXVFZSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
AT1 receptor Primary target of this compound Hs Antagonist Antagonist 8.6 pIC50 - 1
pIC50 8.6 (IC50 2.43x10-9 M) [1]