azilsartan   Click here for help

GtoPdb Ligand ID: 6901

Synonyms: TAK 536 | TAK-536 | TAK536
Compound class: Synthetic organic
Comment: The active form of the approved drug azilsartan medoxomil.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 123.24
Molecular weight 456.14
XLogP 5.7
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O
Isomeric SMILES CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O
InChI InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)
InChI Key KGSXMPPBFPAXLY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Prodrug azilsartan medoxomil
IUPAC Name Click here for help
2-ethoxy-3-[[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
8724 azilsartan
Synonyms Click here for help
TAK 536 | TAK-536 | TAK536
Database Links Click here for help
CAS Registry No. 147403-03-0 (source: Scifinder)
ChEMBL Ligand CHEMBL57242
GtoPdb PubChem SID 178103483
PubChem CID 9825285
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Wikipedia Azilsartan

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Tocris
Azilsartan
Cat. No. 4553