| Compound Information | SONAR Target prediction |
| Name: | Nicergoline |
| Unique Identifier: | Prest513 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | BrC24H26N3O3 |
| Molecular Weight: | 459.187 g/mol |
| X log p: | 15.479 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 54.37 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 6 |
| Rotatable Bond Count: | 5 |
| Canonical Smiles: | COC12CC(COC(=O)c3cncc(Br)c3)CN(C)C1Cc1cn(C)c3cccc2c13 |
| Generic_name: | Nicergoline |
| Drug_type: | Approved Drug |
| Kegg_compound_id: | C12720 |
| Drugbank_id: | APRD00617 |
| Cas_registry_number: | 27848-84-6 |
| Drug_category: | Nootropic Agents; Vasodilator Agents; ATC:C04AE02 |
| Indication: | For the treatment of senile dementia, migraines of vascular origin, transient ischemia, platelet hyper-aggregability, and macular degeneration. |
| Pharmacology: | Nicergoline is a potent vasodilator (improves brain blood flow). On the cerebral level it prompts a lowering of vascular resistance, an increase in arterial flow and stimulates the use of oxygen and glucose. Nicergoline also improves blood circulation in the lungs and limbs and has been shown to inhibit blood platelet aggregation. |
| Mechanism_of_action: | Nicergoline acts by inhibiting the postsynaptic alpha(1)-adrenoceptors on vascular smooth muscle. This inhibits the vasoconstrictor effect of circulating and locally released catecholamines (epinephrine and norepinephrine), resulting in peripheral vasodilation. Therefore the mechanism of Nicergoline is to increase vascular circulation in the brain, thereby enhancing the transmission of nerve signals across the nerve fibres, which secrete acetylcholine as a neural transmitter. |
| 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 | 2007.0000±0 |
| Normalized OD Score: sc h | 0.9874±0 |
| Z-Score: | -0.2841±0 |
| p-Value: | 0.776338 |
| Z-Factor: | -9.11281 |
| Fitness Defect: | 0.2532 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 15 | << Back 1 2 3 |
| 7059559 | -1 |
| 7059560 | -1 |
| 7059561 | -1 |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 10043 | Additional Members: 2 | Rows returned: 1 |
| SPE01501133 | 0 |
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