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Compound InformationSONAR Target prediction
Name:

NICERGOLINE

Unique Identifier:SPE01501133
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:synthetic
Therapeutics:vasodilator
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: 4 active | as graph: single | with analogs << Back 1 2 3 4 Next >> 
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.5631±0.0330926
Normalized OD Score: sc h 1.4465±0.0128795
Z-Score: 4.5682±0.76565
p-Value: 0.000028436
Z-Factor: 0.658005
Fitness Defect: 10.4679
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.0411±0.00068
Plate DMSO Control (-):0.50915±0.02329
Plate Z-Factor:0.8365
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DBLink | Rows returned: 152 3 Next >> 
4475 n/a
34040 n/a
941502 -1
1257307 n/a
1712018 n/a
3036264 n/a

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 10043 | Additional Members: 2 | Rows returned: 1
Prest513 0

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