Detailed information for compound 303876

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 272.71 | Formula: C9H8ClFN5S-
  • H donors: 2 H acceptors: 2 LogP: 1.96 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)Nc1nnc(s1)c1cccc(c1)F.[Cl-]
  • InChi: 1S/C9H8FN5S.ClH/c10-6-3-1-2-5(4-6)7-14-15-9(16-7)13-8(11)12;/h1-4H,(H4,11,12,13,15);1H/p-1
  • InChiKey: OGCBVBBSMMUJOV-UHFFFAOYSA-M  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.008 0.1412 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.008 0.1412 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.4022 0.3866
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.008 0.1412 0.0797
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.008 0.1412 1
Onchocerca volvulus 0.0058 0.0828 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.008 0.1412 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.008 0.1412 0.0797
Loa Loa (eye worm) hypothetical protein 0.0058 0.0828 0.0184
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.008 0.1412 0.0797
Echinococcus multilocularis tumor protein p63 0.04 1 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.008 0.1412 1
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.008 0.1412 0.5
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.008 0.1412 0.0797
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.008 0.1412 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.008 0.1412 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.008 0.1412 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.008 0.1412 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.008 0.1412 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.008 0.1412 1
Brugia malayi follicle stimulating hormone receptor 0.0274 0.662 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0274 0.662 0.6861
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0177 0.4022 0.3866
Loa Loa (eye worm) hypothetical protein 0.0375 0.9343 1
Toxoplasma gondii hypothetical protein 0.0177 0.4022 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.008 0.1412 0.5
Loa Loa (eye worm) hypothetical protein 0.0177 0.4022 0.3866
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0028 0 0.5
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.008 0.1412 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.008 0.1412 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.008 0.1412 1
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.008 0.1412 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.4022 0.3866
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.008 0.1412 0.5
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0028 0 0.5
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.008 0.1412 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.008 0.1412 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.008 0.1412 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.008 0.1412 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.008 0.1412 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.008 0.1412 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0055 0.0744 0.0087
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.008 0.1412 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.008 0.1412 1
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.008 0.1412 0.5
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0055 0.0744 0.0087
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.008 0.1412 1
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.008 0.1412 0.5
Brugia malayi hypothetical protein 0.0144 0.3126 0.329
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.008 0.1412 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.008 0.1412 1

Activities

Activity type Activity value Assay description Source Reference
Reduction (functional) = 20 % Maximum percentage reduction in mean arterial blood pressure in metacorticoid (DOCA) hypertensive rats at a standard oral dose of 100 mg/kg ChEMBL. 3361579

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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