Detailed information for compound 867013

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 372.44 | Formula: C17H13FN4OS2
  • H donors: 1 H acceptors: 3 LogP: 4.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1F)CSc1nnc(n2c1cc1c2ccs1)C
  • InChi: 1S/C17H13FN4OS2/c1-10-20-21-17(14-8-15-13(22(10)14)6-7-24-15)25-9-16(23)19-12-5-3-2-4-11(12)18/h2-8H,9H2,1H3,(H,19,23)
  • InChiKey: PFXLBOJNGUFNSB-UHFFFAOYSA-N  


Substructure search Similarity search

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
Treponema pallidum flavodoxin 0.0109 0 0.5
Giardia lamblia Hypothetical protein 0.0253 0.3858 0.5
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0253 0.3858 0.8159
Schistosoma mansoni microtubule-associated protein tau 0.0482 1 1
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0286 0.4729 0.5
Echinococcus multilocularis methionine synthase reductase 0.0176 0.18 0.1593
Entamoeba histolytica type A flavoprotein, putative 0.0109 0 0.5
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0286 0.4729 1
Echinococcus granulosus high affinity choline transporter 1 0.0243 0.3583 0.3422
Giardia lamblia Nitric oxide synthase, inducible 0.0253 0.3858 0.5
Brugia malayi flavodoxin family protein 0.0286 0.4729 1
Echinococcus multilocularis high affinity choline transporter 1 0.0243 0.3583 0.3422
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0286 0.4729 1
Brugia malayi FAD binding domain containing protein 0.0176 0.18 0.3805
Leishmania major p450 reductase, putative 0.0286 0.4729 1
Entamoeba histolytica type A flavoprotein, putative 0.0109 0 0.5
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0286 0.4729 0.4596
Leishmania major cytochrome P450 reductase, putative 0.0253 0.3858 0.8159
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0286 0.4729 0.4596
Schistosoma mansoni NADPH flavin oxidoreductase 0.0144 0.0929 0.0701
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0286 0.4729 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0286 0.4729 0.4596
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0286 0.4729 1
Entamoeba histolytica type A flavoprotein, putative 0.0109 0 0.5
Plasmodium vivax flavodoxin domain containing protein 0.0253 0.3858 0.8159
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0286 0.4729 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.3583 0.7577
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0286 0.4729 0.4596
Loa Loa (eye worm) hypothetical protein 0.0286 0.4729 1
Schistosoma mansoni high-affinity choline transporter 0.0243 0.3583 0.3422
Trichomonas vaginalis sulfite reductase, putative 0.0286 0.4729 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0142 0.0871 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.0176 0.18 0.3805
Chlamydia trachomatis sulfite reductase 0.0176 0.18 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0109 0 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.0286 0.4729 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0142 0.0871 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0109 0 0.5
Echinococcus granulosus methionine synthase reductase 0.0176 0.18 0.1593
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0286 0.4729 1
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0286 0.4729 1
Schistosoma mansoni diflavin oxidoreductase 0.0142 0.0871 0.0641
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0286 0.4729 1
Brugia malayi FAD binding domain containing protein 0.0286 0.4729 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0286 0.4729 1
Schistosoma mansoni cytochrome P450 reductase 0.0286 0.4729 0.4596
Echinococcus multilocularis microtubule associated protein 2 0.0482 1 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0176 0.18 0.1593
Brugia malayi GH02984p 0.0243 0.3583 0.7577
Trypanosoma cruzi p450 reductase, putative 0.0286 0.4729 1
Plasmodium falciparum nitric oxide synthase, putative 0.0286 0.4729 1

Activities

No activities found for this compound.

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

No literature references available for this target.

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