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Compound InformationSONAR 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 Failures1
TPSA54.37
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 << Back 1 2 3 Next >> 
Species: 9606
Condition: TMPPre002
Replicates: 2
Raw OD Value: r im 10106.5000±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
Experimental Conditions
Library:Prestwick
Plate Number and Position:2|G8
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.40 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):979±955.64442
Plate DMSO Control (-):1983.5±536.09994
Plate Z-Factor:-4.7841
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DBLink | Rows returned: 15<< Back 1 2 3 Next >> 
6565902
6604463
6956339
6956340
6978316
6978317

internal high similarity DBLink | Rows returned: 0

active | Cluster 10043 | Additional Members: 2 | Rows returned: 1
SPE01501133 0

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