Molecule Details
| InChIKey | UXOWGYHJODZGMF-QORCZRPOSA-N |
|---|---|
| Compound Name | Aliskiren |
| Canonical SMILES | COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.17 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB09026 |
|---|---|
| Drug Name | Aliskiren |
| CAS Number | 173334-57-1 |
| Groups | approved investigational |
| ATC Codes | C09XA54 C09XA53 C09DX02 C09XA02 C09XA52 |
| Description | Aliskiren is the first drug in the renin inhibitor drug class and is used for the treatment of hypertension.[A203624] It was developed by Speedel and Novartis and initially approved by the FDA in early 2007.[L14018] Aliskiren has been proven to efficacious in reducing blood pressure when used alone ... |
Categories: Acids, Acyclic Agents Acting on the Renin-Angiotensin System Agents causing hyperkalemia Antihypertensive Agents Antihypertensive Agents Indicated for Hypertension Benzene Derivatives Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Dicarboxylic Acids Enzyme Inhibitors Ethers Hypotensive Agents Methyl Ethers P-glycoprotein substrates Protease Inhibitors Renin Inhibitors
Cross-references: BindingDB: 17950 ChEBI: 601027 CHEMBL1639 ChemSpider: 4591452 Drugs Product Database (DPD): 20175 D03208 PDB: C41 PharmGKB: PA143487910 PubChem:5493444 PubChem:310264980 RxCUI: 325646 Wikipedia: Aliskiren ZINC: ZINC000004393164