| Compound Information | SONAR Target prediction |
| Name: | PERINDOPRIL ERBUMINE |
| Unique Identifier: | SPE01505212 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 398.263 g/mol |
| X log p: | -1.234 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 63.68 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 7 |
| Rotatable Bond Count: | 10 |
| Canonical Smiles: | CCCC(NC(C)C(=O)N1C2CCCCC2CC1C(O)=O)C(=O)OCC.CC(C)(C)N |
| Source: | synthetic; S9490-3, McN-A2833-109 |
| Therapeutics: | antihypertensive, ACE inhibitor |
| Generic_name: | Perindopril Erbumine |
| Chemical_iupac_name: | 1-[2-(1-ethoxycarbonylbutylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carb oxylic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450878 |
| Kegg_compound_id: | C07707 |
| Drugbank_id: | APRD01178 |
| Logp: | 2.633 |
| Cas_registry_number: | 107133-36-8 |
| Drug_category: | Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; ATC:C09AA04 |
| Indication: | Used in patients with stable coronary artery disease to reduce the risk of cardiovascular mortality or nonfatal myocardial infarction. |
| Pharmacology: | Perindopril is indicated in patients with stable coronary artery disease to reduce the risk of cardiovascular mortality or nonfatal myocardial infarction. It can be used with conventional treatment for management of coronary artery disease, such as antiplatelet, antihypertensive or lipid-lowering therapy. It is also indicated for the treatment of patients with essential hypertension. Perindopril belongs to a group of medicines called ACE inhibitors which block the action of a chemical in the body called angiotensin converting enzyme (ACE). Normally ACE produces another chemical, angiotensin. Thus perindopril reduces the amount of angiotensin in the blood. Angiotensin has two actions. Firstly it acts on blood vessels to make them narrow and secondly it acts on the kidney to produce less urine. As perindopril stops the production of angiotensin, these actions are reversed. Therefore more urine is produced by the kidneys, which results in less fluid in the blood vessels. The blood vessels also widen. The overall effect of this is a drop in blood pressure and a decrease in the workload of the heart. |
| Mechanism_of_action: | The mechanism through which perindoprilat lowers blood pressure is believed to be primarily inhibition of angiotensin converting enzyme (ACE) activity. ACE is a peptidyl dipeptidase that catalyzes conversion of the inactive decapeptide, angiotensin I, to the vasoconstrictor, angiotensin II. Angiotensin II is a potent peripheral vasoconstrictor, which stimulates aldosterone secretion by the adrenal cortex, and provides negative feedback on renin secretion. Inhibition of ACE results in decreased plasma angiotensin II, leading to decreased vasoconstriction, increased plasma renin activity and decreased aldosterone secretion. The latter results in diuresis and natriuresis and may be associated with a small increase of serum potassium. |
| Organisms_affected: | Humans and other mammals |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7443±0.0132936 |
| Normalized OD Score: sc h | 1.0125±0.00237222 |
| Z-Score: | 0.6664±0.140364 |
| p-Value: | 0.507264 |
| Z-Factor: | -4.39491 |
| Fitness Defect: | 0.6787 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 11 | 1 2 Next >> |
| 60183 | (2S,3aS,7aS)-1-[(2R)-2-[[(1S)-1-ethoxycarbonylbutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2 -carboxylic acid; 2-methylpropan-2-amine |
| 60184 | (2S,3aS,7aS)-1-[(2R)-2-[[(1S)-1-ethoxycarbonylbutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2 -carboxylic acid |
| 107807 | (2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-ethoxycarbonylbutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2 -carboxylic acid |
| 441313 | (2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-ethoxycarbonylbutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2 -carboxylic acid; 2-methylpropan-2-amine |
| 4169159 | 1-[2-(1-ethoxycarbonylbutylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid |
| 9533935 | (2S,3aR,7aS)-1-[(2S)-2-[(1R)-1-ethoxycarbonylbutyl]ammoniopropanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2 -carboxylate |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 1273 | Additional Members: 7 | Rows returned: 0 |
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