Detailed information for compound 2071088

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 279.29 | Formula: C12H10FN3O2S
  • H donors: 2 H acceptors: 3 LogP: 1.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1csc(n1)NC(=O)C)Nc1ccc(cc1)F
  • InChi: 1S/C12H10FN3O2S/c1-7(17)14-12-16-10(6-19-12)11(18)15-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,15,18)(H,14,16,17)
  • InChiKey: WPDCBZDUBPBIOX-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Mycobacterium ulcerans F0F1 ATP synthase subunit A 0.0246 1 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1095 0.4293
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.1287 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.2551 0.3742
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.2551 0.2551
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.1287 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Mycobacterium tuberculosis Probable ATP synthase a chain AtpB (protein 6) 0.0246 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.814 0.814
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.2551 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.2551 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.6815 0.8373
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.2551 0.3134
Loa Loa (eye worm) acetyltransferase 0.0175 0.6815 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.6596 0.8103
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.1287 0.1581
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.2551 1
Schistosoma mansoni hypothetical protein 0.0205 0.814 0.814
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit A 0.0246 1 1
Schistosoma mansoni ATP synthase F0 subunit 6 0.0246 1 1
Echinococcus multilocularis geminin 0.0205 0.814 1
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.6815 1
Echinococcus granulosus transcription factor Dp 1 0.0046 0.1048 0.1288
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.1048 0.1288
Echinococcus granulosus geminin 0.0205 0.814 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.1287 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1095 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.2551 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.1287 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.2551 0.3134
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.6815 0.6815
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.1287 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.2551 0.3742
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.2551 1
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1095 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.