Detailed information for compound 652257

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 382.236 | Formula: C13H12BrN5O2S
  • H donors: 2 H acceptors: 4 LogP: 1.45 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1nnc(s1)NC(=O)C)N/N=C/c1ccc(cc1)Br
  • InChi: 1S/C13H12BrN5O2S/c1-8(20)16-13-19-18-12(22-13)6-11(21)17-15-7-9-2-4-10(14)5-3-9/h2-5,7H,6H2,1H3,(H,17,21)(H,16,19,20)/b15-7+
  • InChiKey: UKMLHOKYYHVTRG-VIZOYTHASA-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
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 1 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.3711 0.5
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 1 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.8578 0.5
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0021 0.3711 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0039 1 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 1 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.3711 0.3621
Giardia lamblia Sgs1 DNA helicase, putative 0.0021 0.3711 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 1 0.5
Schistosoma mansoni inositol monophosphatase 0.0039 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.3711 0.3711
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.8578 0.5
Schistosoma mansoni DNA helicase recq1 0.0021 0.3711 0.3711
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 1 0.5
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0011 0.0141 1
Echinococcus multilocularis inositol monophosphatase 1 0.0039 1 1
Treponema pallidum ATP-dependent DNA helicase 0.0011 0.0141 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0141 0.0000000030455
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 1 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 1 1
Loa Loa (eye worm) inositol-1 0.0039 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.3711 0.3621
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 1 1
Schistosoma mansoni inositol monophosphatase 0.0039 1 1
Loa Loa (eye worm) RecQ helicase 0.0021 0.3711 0.3621
Schistosoma mansoni blooms syndrome DNA helicase 0.0011 0.0141 0.0141
Entamoeba histolytica recQ family DNA helicase 0.0011 0.0141 0.0141
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.3711 0.3711
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 1 1
Entamoeba histolytica recQ family helicase, putative 0.0021 0.3711 0.3711
Schistosoma mansoni DNA helicase recq5 0.0021 0.3711 0.3711
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0141 0.0141
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 1 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0021 0.3711 0.3621

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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