Detailed information for compound 2013042

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 242.296 | Formula: C13H10N2OS
  • H donors: 2 H acceptors: 1 LogP: 1.75 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1c[nH]c(=O)c2c1sc(c2)c1ccccc1
  • InChi: 1S/C13H10N2OS/c14-10-7-15-13(16)9-6-11(17-12(9)10)8-4-2-1-3-5-8/h1-7H,14H2,(H,15,16)
  • InChiKey: FBVOPOZVLBHOHR-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein tyrosine phosphatase type IVA, member 1 Starlite/ChEMBL References
Homo sapiens protein tyrosine phosphatase type IVA, member 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis protein tyrosine phosphatase-likie protein Get druggable targets OG5_128071 All targets in OG5_128071
Trypanosoma brucei gambiense protein tyrosine phosphatase, putative Get druggable targets OG5_128071 All targets in OG5_128071
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128071 All targets in OG5_128071
Echinococcus multilocularis protein tyrosine phosphatase PRL Get druggable targets OG5_128071 All targets in OG5_128071
Theileria parva protein tyrosine phosphatase, putative Get druggable targets OG5_128071 All targets in OG5_128071
Leishmania infantum protein tyrosine phosphatase-like protein Get druggable targets OG5_128071 All targets in OG5_128071
Plasmodium knowlesi protein tyrosine phosphatase, putative Get druggable targets OG5_128071 All targets in OG5_128071
Babesia bovis tyrosine phosphatase, putative Get druggable targets OG5_128071 All targets in OG5_128071
Trypanosoma cruzi protein tyrosine phosphatase, putative Get druggable targets OG5_128071 All targets in OG5_128071
Schistosoma japonicum Protein tyrosine phosphatase type IVA 3, putative Get druggable targets OG5_128071 All targets in OG5_128071
Trypanosoma congolense protein tyrosine phosphatase, putative Get druggable targets OG5_128071 All targets in OG5_128071
Leishmania braziliensis protein tyrosine phosphatase-like protein Get druggable targets OG5_128071 All targets in OG5_128071
Brugia malayi Dual specificity protein phosphatase CDC14B Get druggable targets OG5_128071 All targets in OG5_128071
Trypanosoma cruzi protein tyrosine phosphatase, putative Get druggable targets OG5_128071 All targets in OG5_128071
Leishmania mexicana protein tyrosine phosphatase-like protein Get druggable targets OG5_128071 All targets in OG5_128071
Trypanosoma cruzi protein tyrosine phosphatase-like protein, putative Get druggable targets OG5_128071 All targets in OG5_128071
Trypanosoma cruzi protein tyrosine phosphatase-like protein, putative Get druggable targets OG5_128071 All targets in OG5_128071
Leishmania major protein tyrosine phosphatase-like protein Get druggable targets OG5_128071 All targets in OG5_128071
Leishmania donovani protein tyrosine phosphatase-likie protein Get druggable targets OG5_128071 All targets in OG5_128071
Plasmodium yoelii protein tyrosine phosphatase Get druggable targets OG5_128071 All targets in OG5_128071
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128071 All targets in OG5_128071
Trypanosoma cruzi protein tyrosine phosphatase, putative Get druggable targets OG5_128071 All targets in OG5_128071
Trypanosoma cruzi protein tyrosine phosphatase PRL Get druggable targets OG5_128071 All targets in OG5_128071
Trypanosoma brucei phosphatase of regenerating liver-type phosphatase, putative Get druggable targets OG5_128071 All targets in OG5_128071
Schistosoma mansoni protein tyrosine phosphatase prl Get druggable targets OG5_128071 All targets in OG5_128071
Plasmodium falciparum protein tyrosine phosphatase Get druggable targets OG5_128071 All targets in OG5_128071
Leishmania mexicana protein tyrosine phosphatase-likie protein Get druggable targets OG5_128071 All targets in OG5_128071
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative Get druggable targets OG5_128071 All targets in OG5_128071
Neospora caninum phosphatase, putative Get druggable targets OG5_128071 All targets in OG5_128071
Trypanosoma cruzi protein tyrosine phosphatase-like protein, putative Get druggable targets OG5_128071 All targets in OG5_128071
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_128071 All targets in OG5_128071
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B Get druggable targets OG5_128071 All targets in OG5_128071
Schistosoma mansoni protein tyrosine phosphatase prl Get druggable targets OG5_128071 All targets in OG5_128071
Schistosoma japonicum expressed protein Get druggable targets OG5_128071 All targets in OG5_128071
Leishmania infantum protein tyrosine phosphatase-likie protein Get druggable targets OG5_128071 All targets in OG5_128071
Trypanosoma cruzi protein tyrosine phosphatase-like protein, putative Get druggable targets OG5_128071 All targets in OG5_128071
Plasmodium berghei protein tyrosine phosphatase Get druggable targets OG5_128071 All targets in OG5_128071
Leishmania donovani protein tyrosine phosphatase-like protein Get druggable targets OG5_128071 All targets in OG5_128071
Plasmodium vivax protein tyrosine phosphatase, putative Get druggable targets OG5_128071 All targets in OG5_128071
Leishmania major protein tyrosine phosphatase-likie protein Get druggable targets OG5_128071 All targets in OG5_128071
Echinococcus granulosus protein tyrosine phosphatase PRL Get druggable targets OG5_128071 All targets in OG5_128071

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum protein tyrosine phosphatase protein tyrosine phosphatase type IVA, member 3 148 aa 149 aa 33.6 %
Trypanosoma brucei cell division cycle phosphatase 14, putative protein tyrosine phosphatase type IVA, member 1 173 aa 183 aa 25.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi protein tyrosine phosphatase, putative 0.0025 1 0.5
Schistosoma mansoni protein tyrosine phosphatase prl 0.0025 1 0.5
Trypanosoma brucei phosphatase of regenerating liver-type phosphatase, putative 0.0025 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0022 0 0.5
Plasmodium falciparum protein tyrosine phosphatase 0.0025 1 0.5
Brugia malayi Dual specificity protein phosphatase CDC14B 0.0022 0 0.5
Trypanosoma cruzi protein tyrosine phosphatase, putative 0.0025 1 0.5
Trypanosoma cruzi protein tyrosine phosphatase-like protein, putative 0.0025 1 0.5
Echinococcus multilocularis protein tyrosine phosphatase PRL 0.0025 1 0.5
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0025 1 0.5
Plasmodium vivax protein tyrosine phosphatase, putative 0.0025 1 0.5
Trypanosoma cruzi protein tyrosine phosphatase, putative 0.0025 1 0.5
Trypanosoma cruzi protein tyrosine phosphatase-like protein, putative 0.0025 1 0.5
Leishmania major protein tyrosine phosphatase-like protein 0.0025 1 0.5
Trypanosoma cruzi protein tyrosine phosphatase PRL 0.0025 1 0.5
Trypanosoma cruzi protein tyrosine phosphatase-like protein, putative 0.0025 1 0.5
Trypanosoma cruzi protein tyrosine phosphatase-like protein, putative 0.0025 1 0.5
Toxoplasma gondii hypothetical protein 0.0022 0 0.5
Schistosoma mansoni protein tyrosine phosphatase prl 0.0025 1 0.5
Leishmania major protein tyrosine phosphatase-likie protein 0.0025 1 0.5
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B 0.0022 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 128 nM Inhibition of full length human fusion His6 tagged PRL3 expressed in Escherichia coli using TAMRA-Thr-Ala-Asp-Ile-Tyr(PO3H2)-Glu-NH2 substrate by immobilized metal ion affinity-based fluorescence polarization assay ChEMBL. 25159123
IC50 (binding) = 173 nM Inhibition of full length human fusion His6 tagged PRL1 expressed in Escherichia coli using TAMRA-Thr-Ala-Asp-Ile-Tyr(PO3H2)-Glu-NH2 substrate by immobilized metal ion affinity-based fluorescence polarization assay ChEMBL. 25159123
IC50 (binding) = 277 nM Inhibition of human PRL2 expressed in Escherichia coli using TAMRA-Thr-Ala-Asp-Ile-Tyr(PO3H2)-Glu-NH2 substrate by immobilized metal ion affinity-based fluorescence polarization assay ChEMBL. 25159123
IC50 (binding) = 0.24 uM Inhibition of PRL3 (unknown origin) using DiFMUP as fluorogenic phosphate substrate assessed as DiFMUP dephosphorylation ChEMBL. 25159123
IC50 (binding) = 70 uM Inhibition of PRL1 (unknown origin) using DiFMUP as fluorogenic phosphate substrate assessed as DiFMUP dephosphorylation ChEMBL. 25159123
IC50 (binding) = 104 uM Inhibition of PRL2 (unknown origin) using DiFMUP as fluorogenic phosphate substrate assessed as DiFMUP dephosphorylation ChEMBL. 25159123

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

1 literature reference was collected for this gene.

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