| Compound Information | SONAR Target prediction |
| Name: | Nitrendipine |
| Unique Identifier: | LAT004B04 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C18H20N2O6 |
| Molecular Weight: | 340.202 g/mol |
| X log p: | 8.766 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 95.74 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 7 |
| Canonical Smiles: | [O-][N+](=O)c1cccc(c1)C1C(=C(C)NC(C)=C1C(=O)OCC)C(=O)OC |
| Generic_name: | Nitrendipine |
| Chemical_iupac_name: | methylethyl2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Drug_type: | Approved Drug |
| Kegg_compound_id: | C07713 |
| Drugbank_id: | APRD00421 |
| Melting_point: | 156-160 oC |
| H2o_solubility: | Insoluble |
| Logp: | 2.756 |
| Cas_registry_number: | 39562-70-4 |
| Drug_category: | Vasodilator Agents; Antihypertensive Agents; ATC:C08CA08; Calcium Channel Blockers; |
| Indication: | For the treatment of mild to moderate hypertension |
| Pharmacology: | Nitrendipine, a dihydropyridine calcium-channel blocker, is used alone or with an angiotensin-converting enzyme inhibitor, to treat hypertension, chronic stable angina pectoris, and Prinzmetal-s variant angina. Nitrendipine is similar to other peripheral vasodilators. Nitrendipine inhibits the influx of extra cellular calcium across the myocardial and vascular smooth muscle cell membranes possibly by deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum. The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload. |
| Mechanism_of_action: | By deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum, Nitrendipine inhibits the influx of extracellular calcium across the myocardial and vascular smooth muscle cell membranes The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload. |
| Organisms_affected: | Humans and other mammals |
| Found: 2 active | as graph: single | with analogs | 1 2 Next >> |
| Species: | 4932 |
| Condition: | pdr18h |
| Replicates: | 2 |
| Raw OD Value: r im | 0.3369±0.0429214 |
| Normalized OD Score: sc h | 0.5346±0.0596556 |
| Z-Score: | -12.9556±0.70081 |
| p-Value: | 6.16716e-36 |
| Z-Factor: | -2.35163 |
| Fitness Defect: | 81.0738 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 15 | 1 2 3 Next >> |
| 4507 | ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| 157702 | ethyl methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| 157704 | ethyl methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| 282663 | diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| 451027 | ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| 4251448 | propan-2-yl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| internal high similarity DBLink | Rows returned: 4 |
| LOPAC 00216 | 1.0000 |
| Prest1186 | 1.0000 |
| SPE01503609 | 1.0000 |
| XBX 00343 | 1.0000 |
| active | Cluster 17568 | Additional Members: 18 | Rows returned: 3 |
| LOPAC 00927 | 0.5 |
| LAT003A11 | 0.5 |
| Prest1186 | 0 |
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