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Compound InformationSONAR Target prediction
Name:

PRAZIQUANTEL

Unique Identifier:SPE01500494
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:288.216 g/mol
X log p:7.713  (online calculus)
Lipinksi Failures1
TPSA40.62
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:O=C1CN(CC2N1CCc1ccccc21)C(=O)C1CCCCC1
Source:synthetic
Therapeutics:anthelmintic
Generic_name:Praziquantel
Drug_type:Approved Drug
Pharmgkb_id:PA451092
Kegg_compound_id:C07367
Drugbank_id:APRD01196
Melting_point:136 oC
H2o_solubility:400 mg/L
Logp:2.236
Cas_registry_number:55268-74-1
Drug_category:Anthelmintics; ATC:P02BA01
Indication:For the treatment of infections due to all species of schistosoma.
Pharmacology:Praziquantel is an anthelmintic used in most schistosome and many cestode
infestations. Praziquantel effects the permeability of the cell membrane resulting
in the contraction of schistosomes. The drug further causes vacuolization and
disintegration of the schistosome tegument. The effect is more marked on adult worms
compared to young worms. An increased calcium influx may play an important role.
Secondary effects are inhibition of glucose uptake, lowering of glycogen levels and
stimulation of lactate release. The action of praziquantel is limited very
specifically to trematodes and cestodes; nematodes (including filariae) are not
affected.
Mechanism_of_action:Praziquantel works by causing severe spasms and paralysis of the worms- muscles.
This paralysis is accompanied - and probably caused - by a rapid Ca 2+ influx inside
the schistosome. Morphological alterations are another early effect of praziquantel.
These morphological alterations are accompanied by an increased exposure of
schistosome antigens at the parasite surface. The worms are then either completely
destroyed in the intestine or passed in the stool. An interesting quirk of
praziquantel is that it is relatively ineffective against juvenile schistosomes.
While initially effective, effectiveness against schistosomes decreases until it
reaches a minimum at 3-4 weeks. Effectiveness then increases again until it is once
again fully effective at 6-7 weeks. Glutathione S-transferase (GST), an essential
detoxification enzyme in parasitic helminths, is a major vaccine target and a drug
target against schistosomiasis.

Found: 205 nonactive as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.8640±0.0292742
Normalized OD Score: sc h 1.0044±0.00000054387
Z-Score: -0.5128±0.00905779
p-Value: 0.608092
Z-Factor: -0.822753
Fitness Defect: 0.4974
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:4|E8
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.10125±0.01065
Plate DMSO Control (-):0.9452499999999998±0.01954
Plate Z-Factor:0.8785
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DBLink | Rows returned: 3
4891
445900
1917817

internal high similarity DBLink | Rows returned: 1
LOPAC 01138 1.0000

active | Cluster 6006 | Additional Members: 3 | Rows returned: 0

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