candesartan   Click here for help

GtoPdb Ligand ID: 587

Synonyms: CV-11974 | TCV-116 (prodrug)
Approved drug
candesartan is an approved drug (FDA (1998))
Compound class: Synthetic organic
Comment: Candesartan is an angiotensin II receptor antagonist. The compound is administered as the prodrug candesartan cilexetil (Atacand®).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 118.81
Molecular weight 440.16
XLogP 6.17
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O
Isomeric SMILES CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O
InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
InChI Key HTQMVQVXFRQIKW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1998))
Prodrug candesartan cilexetil
IUPAC Name Click here for help
2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
7239 candesartan
Synonyms Click here for help
CV-11974 | TCV-116 (prodrug)
Database Links Click here for help
BindingDB Ligand 50240609
CAS Registry No. 139481-59-7 (source: DrugBank)
ChEBI CHEBI:3347
ChEMBL Ligand CHEMBL1016
DrugBank Ligand DB00796
GtoPdb PubChem SID 135650050
PubChem CID 2541
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Wikipedia Candesartan

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Tocris
Candesartan
Cat. No. 4791