| Compound Information | SONAR Target prediction |
| Name: | Felodipine |
| Unique Identifier: | LOPAC 00927 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C18Cl2H19NO4 |
| Molecular Weight: | 365.102 g/mol |
| X log p: | 7.766 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 52.6 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 6 |
| Canonical Smiles: | CCOC(=O)C1C(c2cccc(Cl)c2Cl)C(=C(C)NC=1C)C(=O)OC |
| Class: | Ca2+ Channel |
| Action: | Blocker |
| Selectivity: | L-type |
| Generic_name: | Felodipine |
| Chemical_iupac_name: | methylethyl4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Drug_type: | Approved Drug |
| Kegg_compound_id: | C06995 |
| Drugbank_id: | APRD00374 |
| Melting_point: | 145oC |
| H2o_solubility: | 19.7 mg/L |
| Logp: | 4.121 |
| Cas_registry_number: | 72509-76-3 |
| Drug_category: | Vasodilator Agents; Antihypertensive Agents; Antiarrhythmic Agents; Dihydropyridines; ATC:C08CA02 |
| Indication: | For the treatment of hypertension |
| Pharmacology: | Felodipine, 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. Felodipine is similar to other peripheral vasodilators. Felodipine inhibits the influx of extra cellular calcium across the myocardial and vascular smooth muscle cell membranes blocking the calcium channels. 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: | Felodipine is Ca++ channel blocker. It reversibly competes with nitrendipine and/or other calcium channel blockers for dihydropyridine binding sites, blocks voltage-dependent Ca++ currents in vascular smooth muscle and cultured rabbit atrial cells, and blocks potassium- induced contracture of the rat portal vein. By blocker the Ca++ channels, Felodipine inhibits the influx of extracellular calcium across the myocardial and vascular smooth muscle cell membranes and results in a decrease of peripheral vascular resistance. |
| Organisms_affected: | Humans and other mammals |
| Found: 1 active | as graph: single | with analogs |
| Species: | 4932 |
| Condition: | MT2481-pdr1pdr3 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.4978±0.0152735 |
| Normalized OD Score: sc h | 0.7375±0.0209511 |
| Z-Score: | -14.7562±0.179908 |
| p-Value: | 0 |
| Z-Factor: | 0.327541 |
| Fitness Defect: | INF |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 4 |
| 3333 | ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| 636806 | ethyl methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| 941699 | ethyl methyl (4S)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| 987131 | diethyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| internal high similarity DBLink | Rows returned: 6 |
| BTB 14328 | 0.9070 |
| RJC 03429 | 0.9162 |
| JFD 03294 | 0.9419 |
| RJC 03403 | 0.9425 |
| JFD 03274 | 0.9471 |
| JFD 03305 | 0.9647 |
| active | Cluster 17568 | Additional Members: 18 | Rows returned: 3 |
| LAT003A11 | 0.5 |
| LAT004B04 | 0 |
| Prest1186 | 0 |
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