| Compound Information | SONAR Target prediction |
| Name: | QUINAPRIL HYDROCHLORIDE |
| Unique Identifier: | SPE01503076 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 443.731 g/mol |
| X log p: | 17.764 (online calculus) |
| Lipinksi Failures | 2 |
| TPSA | 63.68 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 7 |
| Rotatable Bond Count: | 11 |
| Canonical Smiles: | Cl.CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2ccccc2CC1C(O)=O |
| Source: | synthetic |
| Therapeutics: | antihypertensive, ACE inhibitor |
| Generic_name: | Quinapril |
| Chemical_iupac_name: | 2-[2-(1-ethoxycarbonyl-3-phenyl-propyl)aminopropanoyl]-1,2,3,4-tetrahydroisoquinolin e-3-carboxylic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA451205 |
| Kegg_compound_id: | C07398 |
| Drugbank_id: | APRD00523 |
| Melting_point: | 120-130oC |
| H2o_solubility: | 1 mg/L |
| Logp: | 3.384 |
| Cas_registry_number: | 85441-61-8 |
| Drug_category: | Antihypertensive Agents; Angiotensin-converting Enzyme Inhibitors; ATC:C09AA06 |
| Indication: | For the treatment of hypertension and chronic heart failure. |
| Pharmacology: | Quinapril, an angiotensin-converting enzyme (ACE) inhibitor, is used to treat hypertension and heart failure. Like ramipril, quinapril is a prodrug that, upon deesterification, is converted to the active metabolite quinaprilat. The effect of quinapril in hypertension and in congestive heart failure (CHF) appears to result primarily from the inhibition of circulating and tissue ACE activity, thereby reducing angiotensin II formation. |
| Mechanism_of_action: | Quinaprilat 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 stimulation of baroreceptor reflex mechanisms. Quinaprilat may also act on kininase II, an enzyme identical to ACE that degrades the vasodilator bradykinin. |
| 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: | BCK1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.9030±0.0210718 |
| Normalized OD Score: sc h | 0.9960±0.00498508 |
| Z-Score: | -0.2362±0.0932412 |
| p-Value: | 0.813698 |
| Z-Factor: | -5.82087 |
| Fitness Defect: | 0.2062 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 4 |
| 5005 | 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid |
| 54891 | (3S)-2-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-ca rboxylic acid hydrochloride |
| 54892 | (3S)-2-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-ca rboxylic acid |
| 5311383 | (3S)-2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 1273 | Additional Members: 7 | Rows returned: 0 |
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