Molecule Details
| InChIKey | YOSHYTLCDANDAN-UHFFFAOYSA-N |
|---|---|
| Compound Name | Irbesartan |
| Canonical SMILES | CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.61 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01029 |
|---|---|
| Drug Name | Irbesartan |
| CAS Number | 138402-11-6 |
| Groups | approved investigational |
| ATC Codes | C09CA04 C09DB05 C09DA04 C09DX07 |
| Description | Irbesartan is an angiotensin receptor blocker (ARB) indicated to treat hypertension or diabetic nephropathy.[L7456,L7459] It can also be used as part of a combination product with [hydrochlorothiazide] for patients not well controlled or not expected to be well controlled on monotherapy.[L7459] Unli... |
Categories: Agents Acting on the Renin-Angiotensin System Agents causing hyperkalemia Angiotensin 2 Receptor Blocker Angiotensin II Type 2 Receptor Blockers Angiotensin II receptor antagonists Angiotensin II receptor blockers (ARBs) and calcium channel blockers Angiotensin II receptor blockers (ARBs) and diuretics Angiotensin II receptor blockers (ARBs), plain Angiotensin Receptor Antagonists Antihypertensive Agents Antihypertensive Agents Indicated for Hypertension Benzene Derivatives Biphenyl Compounds Cardiovascular Agents Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (moderate) Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Hypotensive Agents Spiro Compounds Tetrazoles UGT1A3 substrates
Cross-references: BindingDB: 50042235 ChEBI: 5959 CHEMBL1513 ChemSpider: 3618 Drugs Product Database (DPD): 11776 Guide to Pharmacology: 589 IUPHAR: 589 C07469 D00523 PharmGKB: PA450084 PubChem:3749 PubChem:46506575 RxCUI: 83818 Therapeutic Targets Database: DAP000364 Wikipedia: Irbesartan ZINC: ZINC000003872931
Target Activities (2)
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | alpha1-acid glycoprotein | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P23219 | PTGS1 | Prostaglandin G/H synthase 1 | substrate | enzymes |
| P35503 | P35503 | UDP-glucuronosyltransferase 1A3 | substrate | enzymes |
| P30556 | AGTR1 | Type-1 angiotensin II receptor | antagonist | targets |
| P05412 | JUN | Transcription factor Jun | other/unknown | targets |