Detailed information for compound 816190

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 335.766 | Formula: C14H10ClN3O3S
  • H donors: 2 H acceptors: 3 LogP: 3.82 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)N=Nc1c(O)[nH]c2c1cccc2
  • InChi: 1S/C14H10ClN3O3S/c15-9-5-7-10(8-6-9)22(20,21)18-17-13-11-3-1-2-4-12(11)16-14(13)19/h1-8,16,19H
  • InChiKey: MBIQONQXAQUYNY-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
Loa Loa (eye worm) pyruvate kinase 0.0034 0.129 0.129
Schistosoma mansoni pyruvate kinase 0.0034 0.129 0.129
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.129 0.5721
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0212 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0566 0.0566
Toxoplasma gondii exonuclease III APE 0.0019 0.0212 0.043
Loa Loa (eye worm) hypothetical protein 0.0034 0.129 0.129
Trypanosoma brucei pyruvate kinase 1 0.0034 0.129 1
Loa Loa (eye worm) hypothetical protein 0.005 0.2385 0.2385
Echinococcus multilocularis pyruvate kinase 0.0018 0.0125 0.0125
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.2161 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0212 0.0212
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.5555 0.5555
Echinococcus granulosus histone acetyltransferase KAT2B 0.0154 0.9689 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1281 0.1281
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2385 0.2385
Echinococcus multilocularis pyruvate kinase 0.0018 0.0125 0.0125
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.5555 0.5555
Leishmania major pyruvate kinase 0.0034 0.129 1
Loa Loa (eye worm) pyruvate kinase 0.0034 0.129 0.129
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.129 0.5529
Echinococcus granulosus pyruvate kinase 0.0034 0.129 0.1331
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.2161 0.2231
Entamoeba histolytica acetyltransferase, GNAT family 0.0043 0.1889 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0566 0.0566
Echinococcus multilocularis tar DNA binding protein 0.0068 0.3684 0.3684
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0212 0.0496
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.129 0.5529
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0212 0.0496
Loa Loa (eye worm) pyruvate kinase 0.0034 0.129 0.129
Leishmania major pyruvate kinase 0.0034 0.129 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.2161 1
Schistosoma mansoni pyruvate kinase 0.0018 0.0125 0.0125
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0212 0.0212
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0158 1 1
Giardia lamblia Histone acetyltransferase GCN5 0.0043 0.1889 1
Echinococcus multilocularis pyruvate kinase 0.0034 0.129 0.129
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.129 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3684 0.3684
Brugia malayi RNA binding protein 0.0068 0.3684 0.3684
Echinococcus multilocularis pyruvate kinase 0.0034 0.129 0.129
Loa Loa (eye worm) TAR-binding protein 0.0068 0.3684 0.3684
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2385 0.2385
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.5555 0.5555
Brugia malayi TAR-binding protein 0.0068 0.3684 0.3684
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.5555 0.5555
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.0566 0.2106
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3684 0.3684
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.129 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0158 1 1
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.129 0.5
Mycobacterium leprae Probable pyruvate kinase PykA 0.0034 0.129 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.5555 0.5734
Loa Loa (eye worm) hypothetical protein 0.0034 0.1281 0.1281
Schistosoma mansoni hypothetical protein 0.0034 0.1281 0.1281
Echinococcus granulosus pyruvate kinase 0.0018 0.0125 0.0129
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0212 0.5
Chlamydia trachomatis pyruvate kinase 0.0034 0.129 0.5
Schistosoma mansoni pyruvate kinase 0.0034 0.129 0.129
Echinococcus granulosus pyruvate kinase 0.0018 0.0125 0.0129
Echinococcus granulosus tar DNA binding protein 0.0068 0.3684 0.3803
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3684 0.3684
Schistosoma mansoni ap endonuclease 0.0019 0.0212 0.0212
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0047 0.2161 1
Echinococcus granulosus pyruvate kinase 0.0018 0.0125 0.0129
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3684 0.3684
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.5555 0.5734
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.2161 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.5555 0.5555
Trichomonas vaginalis bromodomain-containing protein, putative 0.0047 0.2161 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.129 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.3684 0.3684
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.3684 0.3684
Schistosoma mansoni ap endonuclease 0.0019 0.0212 0.0212
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.129 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0212 0.0212
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0212 0.043
Plasmodium falciparum pyruvate kinase 0.0034 0.129 0.6603
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.129 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2385 0.2385
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.129 0.129
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.129 1
Loa Loa (eye worm) RNA binding protein 0.0068 0.3684 0.3684
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0212 0.0219
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3684 0.3684
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.5555 0.5555
Echinococcus multilocularis pyruvate kinase 0.0018 0.0125 0.0125
Giardia lamblia Pyruvate kinase 0.0034 0.129 0.6603
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.129 0.129
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.1889 1
Mycobacterium ulcerans pyruvate kinase 0.0034 0.129 1
Plasmodium vivax pyruvate kinase, putative 0.0034 0.129 0.5721
Echinococcus multilocularis pyruvate kinase 0.0027 0.0786 0.0786
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.5555 0.5555
Loa Loa (eye worm) acetyltransferase 0.0158 1 1
Echinococcus granulosus pyruvate kinase 0.0034 0.129 0.1331

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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