Detailed information for compound 1582262

Basic information

Technical information
  • TDR Targets ID: 1582262
  • Name: SMR000473215
  • MW: 305.306 | Formula: C14H11NO5S
  • H donors: 2 H acceptors: 4 LogP: 2.7 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1sccc1NC(=O)c1ccccc1C(=O)O
  • InChi: 1S/C14H11NO5S/c1-20-14(19)11-10(6-7-21-11)15-12(16)8-4-2-3-5-9(8)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
  • InChiKey: YBZPPSKTEVMALW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-({[2-(methoxycarbonyl)-3-thienyl]amino}carbonyl)benzoic acid
  • MLS001143380

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
Schistosoma mansoni aryl hydrocarbon receptor 0.005 0.2368 0.6471
Leishmania major protein kinase, putative 0.0062 0.3155 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0062 0.3155 1
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0062 0.3155 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3155 0.5
Echinococcus multilocularis transfer RNA-Lys 0.0037 0.1526 0.2697
Mycobacterium ulcerans putative regulatory protein 0.0037 0.1526 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0924 0.0842
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0924 0.0842
Plasmodium vivax serine/threonine kinase-1, putative 0.0062 0.3155 0.5
Loa Loa (eye worm) CYP4Cod1 0.0016 0.0182 0.0094
Leishmania major protein kinase, putative 0.0062 0.3155 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0924 0.0842
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.3155 1
Brugia malayi hypoxia-induced factor 1 0.0155 0.9158 0.915
Giardia lamblia Kinase, CMGC CLK 0.0062 0.3155 0.5
Echinococcus multilocularis dual specificity protein kinase clk2 0.0062 0.3155 1
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0062 0.3155 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.3125 0.3063
Brugia malayi Cytochrome P450 family protein 0.0016 0.0182 0.0094
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.0182 0.0578
Schistosoma mansoni single-minded 0.005 0.2368 0.6471
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0182 0.0094
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0062 0.3155 1
Leishmania major cytochrome p450-like protein 0.0016 0.0182 0.0578
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.3155 1
Echinococcus granulosus single minded 2 0.0037 0.1526 0.2697
Echinococcus multilocularis 0.0062 0.3125 0.9862
Loa Loa (eye worm) hypothetical protein 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0924 0.0842
Brugia malayi Cytochrome P450 family protein 0.0016 0.0182 0.0094
Loa Loa (eye worm) hypoxia-induced factor 1 0.0155 0.9158 0.915
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0182 0.0094
Brugia malayi PAS domain containing protein 0.005 0.2368 0.2299
Plasmodium falciparum protein serine/threonine kinase-1 0.0062 0.3155 0.5
Onchocerca volvulus 0.0037 0.1526 1
Brugia malayi bHLH-PAS transcription factor 0.0037 0.1526 0.1449
Brugia malayi Protein kinase domain containing protein 0.0062 0.3155 0.3094
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0062 0.3155 1
Echinococcus granulosus dual specificity protein kinase clk2 0.0062 0.3155 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0062 0.3155 1
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0062 0.3155 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.0182 0.0578
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0062 0.3155 0.3094
Brugia malayi intermediate filament protein 0.0028 0.0924 0.0842
Loa Loa (eye worm) hypothetical protein 0.0027 0.0891 0.0809
Echinococcus granulosus hypothetical protein 0.0062 0.3125 0.9862

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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