irbesartan   Click here for help

GtoPdb Ligand ID: 589

Synonyms: Aprovel® | Avapro® | Karvea® | SR 47436
Approved drug
irbesartan is an approved drug (EMA & FDA (1997))
Compound class: Synthetic organic
Comment: Irbesartan is an angiotensin receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 87.13
Molecular weight 428.23
XLogP 6.06
No. Lipinski's rules broken 1
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Canonical SMILES CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2
Isomeric SMILES CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2
InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA & FDA (1997))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7229 irbesartan
Synonyms Click here for help
Aprovel® | Avapro® | Karvea® | SR 47436
Database Links Click here for help
Specialist databases
GPCRdb Ligand irbesartan
Reactome Drug Reactome logo R-ALL-9615287
Reactome Reaction Reactome logo R-HSA-9615249
Other databases
BindingDB Ligand 50042235
CAS Registry No. 138402-11-6
ChEMBL Ligand CHEMBL1513
DrugBank Ligand DB01029
DrugCentral Ligand 1481
GtoPdb PubChem SID 135650414
PubChem CID 3749
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UniChem Compound Search for chemical match using the InChIKey YOSHYTLCDANDAN-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey YOSHYTLCDANDAN-UHFFFAOYSA-N
Wikipedia Irbesartan

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Irbesartan (links to external site)
Cat. No. 5798