Detailed information for compound 980720

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 372.4 | Formula: C15H9FN6OS2
  • H donors: 1 H acceptors: 4 LogP: 2.86 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)c1n[nH]cc1/C=C/1\SC(=N)N(C1=O)c1nncs1
  • InChi: 1S/C15H9FN6OS2/c16-10-3-1-2-8(4-10)12-9(6-18-20-12)5-11-13(23)22(14(17)25-11)15-21-19-7-24-15/h1-7,17H,(H,18,20)/b11-5-,17-14?
  • InChiKey: ACIUOPCTWUSMLL-USTFFRMGSA-N  

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
Brugia malayi hypothetical protein 0.0093 0.0471 0.0209
Loa Loa (eye worm) hypothetical protein 0.0093 0.0471 0.0368
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0093 0.0471 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0093 0.0471 0.5
Mycobacterium leprae Probable Ubiquinol-cytochrome C reductase QcrC (cytochrome C subunit) 0.0035 0 0.5
Schistosoma mansoni acetylcholinesterase 0.0093 0.0471 0.0368
Onchocerca volvulus 0.0093 0.0471 0.0148
Brugia malayi Cytochrome c type-1 0.0105 0.0569 0.0352
Brugia malayi Carboxylesterase family protein 0.0093 0.0471 0.0209
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.055 0.4216 1
Wolbachia endosymbiont of Brugia malayi cytochrome c2 0.0105 0.0569 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.055 0.4216 1
Brugia malayi STAT protein, DNA binding domain containing protein 0.0289 0.2078 0.255
Plasmodium falciparum telomerase reverse transcriptase 0.0343 0.252 1
Loa Loa (eye worm) carboxylesterase 0.0093 0.0471 0.0368
Loa Loa (eye worm) hypothetical protein 0.055 0.4216 1
Plasmodium vivax cytochrome c, putative 0.0105 0.0569 0.2258
Mycobacterium ulcerans carboxylesterase, LipT 0.0093 0.0471 1
Schistosoma mansoni gliotactin 0.0093 0.0471 0.0368
Schistosoma mansoni neuroligin 3 (S09 family) 0.0093 0.0471 0.0368
Toxoplasma gondii RNA-directed DNA polymerase 0.0343 0.252 1
Onchocerca volvulus 0.0093 0.0471 0.0148
Schistosoma mansoni BC026374 protein (S09 family) 0.0093 0.0471 0.0368
Loa Loa (eye worm) hypothetical protein 0.0093 0.0471 0.0368
Echinococcus multilocularis acetylcholinesterase 0.055 0.4216 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0093 0.0471 0.0368
Onchocerca volvulus 0.0093 0.0471 0.0148
Schistosoma mansoni cytochrome c 0.0105 0.0569 0.0621
Echinococcus multilocularis carboxylesterase 5A 0.055 0.4216 1
Trypanosoma brucei telomerase reverse transcriptase 0.0343 0.252 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0471 0.0368
Echinococcus granulosus cytochrome c 0.0105 0.0569 0.0262
Plasmodium falciparum cytochrome c, putative 0.0105 0.0569 0.2258
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0093 0.0471 0.0368
Toxoplasma gondii cytochrome c, putative 0.0105 0.0569 0.2258
Onchocerca volvulus 0.0093 0.0471 0.0148
Echinococcus granulosus acetylcholinesterase 0.055 0.4216 1
Echinococcus multilocularis cytochrome c 0.0105 0.0569 0.0262
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0093 0.0471 0.0368
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0093 0.0471 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0343 0.252 1
Brugia malayi Carboxylesterase family protein 0.0093 0.0471 0.0209
Mycobacterium tuberculosis Carboxylesterase LipT 0.0093 0.0471 0.5
Loa Loa (eye worm) hypothetical protein 0.0093 0.0471 0.0368
Trichomonas vaginalis spcc417.12 protein, putative 0.0093 0.0471 0.5
Giardia lamblia Telomerase catalytic subunit 0.0343 0.252 0.5
Onchocerca volvulus 0.0093 0.0471 0.0148
Loa Loa (eye worm) carboxylesterase 0.0093 0.0471 0.0368
Loa Loa (eye worm) cytochrome c type-1 0.0105 0.0569 0.0621
Loa Loa (eye worm) hypothetical protein 0.0093 0.0471 0.0368
Brugia malayi Carboxylesterase family protein 0.0093 0.0471 0.0209
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0343 0.252 1
Echinococcus multilocularis acetylcholinesterase 0.055 0.4216 1
Echinococcus granulosus carboxylesterase 5A 0.055 0.4216 1
Brugia malayi Carboxylesterase family protein 0.055 0.4216 0.5667
Loa Loa (eye worm) carboxylesterase 0.055 0.4216 1
Echinococcus granulosus acetylcholinesterase 0.055 0.4216 1
Brugia malayi Carboxylesterase family protein 0.0093 0.0471 0.0209
Brugia malayi Telomerase reverse transcriptase 0.0914 0.7189 1
Loa Loa (eye worm) STAT protein 0.0289 0.2078 0.45
Loa Loa (eye worm) hypothetical protein 0.055 0.4216 1
Brugia malayi Carboxylesterase family protein 0.055 0.4216 0.5667
Plasmodium vivax telomerase reverse transcriptase, putative 0.0343 0.252 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0471 0.0368
Leishmania major telomerase reverse transcriptase, putative 0.0343 0.252 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0471 0.0368

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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