| Compound Information | SONAR Target prediction |
| Name: | Ramipril |
| Unique Identifier: | Prest232 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C23H32N2O5 |
| Molecular Weight: | 386.272 g/mol |
| X log p: | 9.294 (online calculus) |
| Lipinksi Failures | 2 |
| TPSA | 63.68 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 7 |
| Rotatable Bond Count: | 11 |
| Canonical Smiles: | CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1C2CCCC2CC1C(O)=O |
| Generic_name: | Ramipril |
| Chemical_iupac_name: | 4-[2-(1-ethoxycarbonyl-3-phenyl-propyl)aminopropanoyl]-4-azabicyclo[3.3.0]octane-3-c arboxylicacid |
| Drug_type: | Approved Drug |
| Kegg_compound_id: | C07232 |
| Drugbank_id: | APRD00009 |
| Melting_point: | 109 oC |
| H2o_solubility: | 3.5mg/L |
| Logp: | 3.149 |
| Cas_registry_number: | 87333-19-5 |
| Drug_category: | Antihypertensive Agents; Angiotensin-converting Enzyme Inhibitors; ATC:C09AA05 |
| Indication: | Indicated for diuretics and digitalis in congestive heart failure as adjunctive therapy; prophylaxis in post MI. |
| Pharmacology: | Ramipril is an angiotensin-converting enzyme (ACE) inhibitor similar to benazepril, fosinopril, and quinapril. An inactive prodrug, ramipril is converted to ramiprilat in the liver and is used to treat hypertension and heart failure, to reduce proteinuria and renal disease in patients with nephropathies, and to prevent stroke, myocardial infarction, and cardiac death in high-risk patients. |
| Mechanism_of_action: | Ramiprilat, the active metabolite, competes with angiotensin I for binding at the angiotensin-converting enzyme, blocking the conversion of angiotensin I to angiotensin II. As angiotensin II is a vasoconstrictor and a negative-feedback mediator for renin activity, lower concentrations result in a decrease in blood pressure and an increase in plasma renin. Ramiprilat may also act on kininase II, an enzyme identical to ACE that degrades the vasodilator bradykinin. |
| Organisms_affected: | Humans and other mammals |
| Found: 3 nonactive as graph: single | with analogs | 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre001 |
| Replicates: | 2 |
| Raw OD Value: r im | 744.0000±0 |
| Normalized OD Score: sc h | 0.9446±0 |
| Z-Score: | -1.2478±0 |
| p-Value: | 0.212106 |
| Z-Factor: | -83.6879 |
| Fitness Defect: | 1.5507 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 19 | 1 2 3 4 Next >> |
| 5038 | 8-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-8-azabicyclo[3.3.0]octane-7-carboxylic acid |
| 5525 | 1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid |
| 54667 | [1-[(2R,3aS,7aS)-2-carboxy-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxo-propan-2-yl]-(1-ethoxycarbonyl-3 -phenyl-propyl)azanium chloride |
| 54668 | (2R,3aS,7aS)-1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole- 2-carboxylic acid |
| 130318 | n/a |
| 1548980 | (1S,5R,7R)-8-[(2S)-2-[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]ammoniopropanoyl]-8-azabicyclo[3.3.0]octane- 7-carboxylate |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 1273 | Additional Members: 7 | Rows returned: 0 |
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