Detailed information for compound 418295

Basic information

Technical information
  • TDR Targets ID: 418295
  • Name: pyridin-2-yl thiophene-2-carboxylate
  • MW: 205.233 | Formula: C10H7NO2S
  • H donors: 0 H acceptors: 2 LogP: 2.61 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccs1)Oc1ccccn1
  • InChi: 1S/C10H7NO2S/c12-10(8-4-3-7-14-8)13-9-5-1-2-6-11-9/h1-7H
  • InChiKey: FDFYMYMTXXSBJM-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-pyridyl thiophene-2-carboxylate
  • 2-thiophenecarboxylic acid 2-pyridyl ester
  • thiophene-2-carboxylic acid 2-pyridyl ester
  • ZINC00375733
  • STK057966

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 tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0844 0.1796 0.7873
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.374 0.8413 1
Echinococcus multilocularis carbonic anhydrase 0.1966 0.4359 0.5177
Trichomonas vaginalis conserved hypothetical protein 0.1643 0.3622 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1966 0.4359 0.5177
Entamoeba histolytica ankyrin, putative 0.0076 0.0042 0.0000000090764
Loa Loa (eye worm) hypothetical protein 0.0133 0.0171 0.0171
Schistosoma mansoni hypothetical protein 0.01 0.0097 0.0104
Mycobacterium ulcerans carbonic anhydrase 0.1571 0.3456 0.954
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.374 0.8413 1
Trichomonas vaginalis conserved hypothetical protein 0.1643 0.3622 1
Echinococcus multilocularis microtubule associated protein 2 0.0749 0.1578 0.1866
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1966 0.4359 0.5177
Schistosoma mansoni carbonic anhydrase-related 0.1966 0.4359 0.5177
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0256 0.0452 0.195
Leishmania major carbonic anhydrase-like protein 0.374 0.8413 1
Schistosoma mansoni hypothetical protein 0.1966 0.4359 0.5177
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0076 0.0042 0.0141
Onchocerca volvulus Huntingtin homolog 0.0133 0.0171 0.3242
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.374 0.8413 0.8413
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.374 0.8413 0.5
Onchocerca volvulus 0.0222 0.0374 0.8072
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.374 0.8413 1
Echinococcus granulosus dynactin 5 p25 0.0076 0.0042 0.0038
Onchocerca volvulus Putative sulfate transporter 0.0222 0.0374 0.8072
Trichomonas vaginalis set domain proteins, putative 0.0257 0.0454 0.1169
Echinococcus granulosus carbonic anhydrase 0.1966 0.4359 0.5177
Brugia malayi Pre-SET motif family protein 0.0226 0.0383 0.0445
Echinococcus multilocularis carbonic anhydrase 0.1966 0.4359 0.5177
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.374 0.8413 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1966 0.4359 0.4359
Mycobacterium leprae Probable transmembrane transport protein 0.0256 0.0452 0.1219
Schistosoma mansoni carbonic anhydrase-related 0.1966 0.4359 0.5177
Echinococcus granulosus carbonic anhydrase II 0.374 0.8413 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1966 0.4359 0.5177
Onchocerca volvulus 0.0257 0.0454 1
Leishmania major carbonic anhydrase family protein, putative 0.1571 0.3456 0.4101
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0076 0.0042 0.5
Echinococcus granulosus carbonic anhydrase 0.1966 0.4359 0.5177
Toxoplasma gondii hypothetical protein 0.1966 0.4359 0.5
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1966 0.4359 0.5177
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1055 0.2278 1
Schistosoma mansoni carbonic anhydrase-related 0.1966 0.4359 0.5177
Schistosoma mansoni carbonic anhydrase 0.1571 0.3456 0.4101
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0226 0.0383 0.0383
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.009 0.0073 0.0076
Brugia malayi Putative carbonic anhydrase 5 precursor 0.374 0.8413 1
Entamoeba histolytica carbonic anhydrase, putative 0.1571 0.3456 1
Onchocerca volvulus Huntingtin homolog 0.0133 0.0171 0.3242
Echinococcus granulosus microtubule associated protein 2 0.0749 0.1578 0.1866
Schistosoma mansoni carbonic anhydrase 0.1966 0.4359 0.5177
Trypanosoma brucei carbonic anhydrase-like protein 0.374 0.8413 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0749 0.1578 0.1866
Echinococcus multilocularis L aminoadipate semialdehyde 0.009 0.0073 0.0076
Loa Loa (eye worm) hypothetical protein 0.1966 0.4359 0.4359
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.009 0.0073 0.0076
Echinococcus granulosus Desert hedgehog protein 0.0138 0.0182 0.0205
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1571 0.3456 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.0171 0.0171
Onchocerca volvulus 0.009 0.0073 0.0916
Echinococcus granulosus L aminoadipate semialdehyde 0.009 0.0073 0.0076
Echinococcus granulosus carbonic anhydrase 0.1966 0.4359 0.5177
Loa Loa (eye worm) carbonic anhydrase 3 0.374 0.8413 0.8413
Brugia malayi hypothetical protein 0.0133 0.0171 0.0192
Mycobacterium ulcerans carbonic anhydrase 0.1643 0.3622 1
Echinococcus multilocularis carbonic anhydrase II 0.374 0.8413 1
Loa Loa (eye worm) hypothetical protein 0.1966 0.4359 0.4359
Echinococcus multilocularis carbonic anhydrase 0.1966 0.4359 0.5177
Loa Loa (eye worm) hypothetical protein 0.009 0.0073 0.0073
Plasmodium falciparum carbonic anhydrase 0.1966 0.4359 0.5
Mycobacterium ulcerans transferase 0.0073 0.0035 0.0071
Echinococcus multilocularis hedgehog 0.0138 0.0182 0.0205
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0076 0.0042 0.5
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0983 0.2112 0.9267
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1966 0.4359 0.5177

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 13 % Inhibition of SARS coronavirus His-3C-like protease at 100 uM ChEMBL. 17381079
Inhibition (binding) = 13 % Inhibition of SARS coronavirus His-3C-like protease at 100 uM ChEMBL. 17381079

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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