Detailed information for compound 418298

Basic information

Technical information
  • TDR Targets ID: 418298
  • Name: (6-methylpyridin-3-yl) thiophene-2-carboxylat e
  • MW: 219.26 | Formula: C11H9NO2S
  • H donors: 0 H acceptors: 2 LogP: 2.68 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cn1)OC(=O)c1cccs1
  • InChi: 1S/C11H9NO2S/c1-8-4-5-9(7-12-8)14-11(13)10-3-2-6-15-10/h2-7H,1H3
  • InChiKey: BLJRXJXOLZWTJS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (6-methyl-3-pyridyl) thiophene-2-carboxylate
  • 2-thiophenecarboxylic acid (6-methyl-3-pyridyl) ester
  • thiophene-2-carboxylic acid (6-methyl-3-pyridyl) ester
  • ZINC01514360
  • Oprea1_279574

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
Brugia malayi Cytochrome P450 family protein 0.0013 0.0026 0.3156
Loa Loa (eye worm) hypothetical protein 0.0009 0.0012 0.1505
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0777 0.2808 0.5
Trypanosoma brucei cytochrome P450, putative 0.0013 0.0026 0.0666
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0034 0.4158
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0042 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0042 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0042 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0042 1
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0042 1
Schistosoma mansoni lamin 0.0028 0.0081 0.0313
Leishmania major cathepsin L-like protease 0.0066 0.022 1
Brugia malayi Cathepsin L-like precursor 0.0012 0.0021 0.2647
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0042 1
Echinococcus multilocularis lamin 0.0028 0.0081 0.0069
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.022 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0042 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0021 0.2647
Echinococcus multilocularis lamin dm0 0.0028 0.0081 0.0069
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.022 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0081 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0042 1
Trypanosoma cruzi cysteine proteinase, putative 0.0009 0.0012 0.053
Echinococcus multilocularis thymidine phosphorylase 0.2753 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0042 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0042 0.523
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.022 1
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0042 1
Echinococcus granulosus cathepsin l1 0.0017 0.0042 0.0031
Onchocerca volvulus 0.0017 0.0042 0.3513
Brugia malayi Cathepsin L-like precursor 0.0017 0.0042 0.523
Schistosoma mansoni intermediate filament proteins 0.0028 0.0081 0.0313
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0028 0.0017
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0042 0.0031
Brugia malayi Papain family cysteine protease containing protein 0.0009 0.0012 0.1442
Onchocerca volvulus 0.0017 0.0042 0.3513
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0042 1
Onchocerca volvulus 0.0028 0.0081 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0042 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0042 0.523
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0042 0.0164
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0009 0.0012 0.0045
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0793 0.2865 0.2857
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0042 1
Echinococcus multilocularis microtubule associated protein 2 0.0716 0.2586 0.2578
Mycobacterium ulcerans thymidine phosphorylase 0.2753 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0009 0.0012 0.053
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.022 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0042 0.523
Echinococcus granulosus microtubule associated protein 2 0.0716 0.2586 0.2578
Brugia malayi Cytochrome P450 family protein 0.0013 0.0026 0.3156
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0042 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0042 0.523
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0042 1
Loa Loa (eye worm) fibroinase 0.0017 0.0042 0.523
Echinococcus granulosus lamin 0.0028 0.0081 0.0069
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0777 0.2808 0.2789
Onchocerca volvulus 0.0028 0.0081 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0081 1
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.2753 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0081 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.022 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0042 0.0031
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0042 0.523
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0042 1
Plasmodium vivax vivapain-3 0.0009 0.0012 0.2757
Echinococcus multilocularis musashi 0.0028 0.0081 0.0069
Onchocerca volvulus 0.0017 0.0042 0.3513
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0026 0.1161
Trypanosoma cruzi cysteine proteinase, putative 0.0009 0.0012 0.053
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0042 0.0031
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.022 1
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.022 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0009 0.0012 0.053
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.022 1
Echinococcus multilocularis neuropeptide receptor A26 0.0452 0.1625 0.1615
Loa Loa (eye worm) CYP4Cod1 0.0013 0.0026 0.3156
Brugia malayi Cathepsin L-like precursor 0.0017 0.0042 0.523
Leishmania major cathepsin L-like protease 0.0066 0.022 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0042 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0009 0.0012 0.0045
Plasmodium vivax unspecified product 0.0009 0.0012 0.2757
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0042 0.0164
Entamoeba histolytica cysteine protease, putative 0.0017 0.0042 1
Loa Loa (eye worm) cysteine protease 0.0017 0.0042 0.523
Plasmodium vivax vivapain-2 0.0017 0.0042 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0042 0.523
Brugia malayi intermediate filament protein 0.0028 0.0081 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0028 0.349
Echinococcus granulosus neuropeptide s receptor 0.0452 0.1625 0.1615
Plasmodium vivax vivapain-1 0.0009 0.0012 0.2757
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0042 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0026 0.3156
Echinococcus multilocularis neuropeptide s receptor 0.0452 0.1625 0.1615
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0042 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0042 0.0031
Trypanosoma cruzi cysteine protease, putative 0.0009 0.0012 0.053
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0042 0.3513
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0012 0.0021 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.022 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0042 0.0031
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0042 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0042 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0021 0.2647
Leishmania major cathepsin L-like protease 0.0017 0.0042 0.0863
Echinococcus granulosus lamin dm0 0.0028 0.0081 0.0069
Brugia malayi cathepsin L-like precursor 0.0012 0.0021 0.2647
Leishmania major cathepsin L-like protease 0.0017 0.0042 0.0863
Loa Loa (eye worm) hypothetical protein 0.0012 0.0021 0.2647
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0042 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0012 0.0021 0.2647
Onchocerca volvulus 0.0017 0.0042 0.3513
Leishmania major cathepsin L-like protease 0.0017 0.0042 0.0863
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0034 0.4158
Leishmania major cathepsin L-like protease 0.0066 0.022 1
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0042 0.523
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.022 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.0199 0.905
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0042 0.1924
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0042 1
Loa Loa (eye worm) ctsf protein 0.0017 0.0042 0.523
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0042 1
Echinococcus granulosus neuropeptide receptor A26 0.0452 0.1625 0.1615
Echinococcus multilocularis cysteine protease 0.0017 0.0042 0.0031
Onchocerca volvulus 0.0017 0.0042 0.3513
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0042 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0012 0.0021 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.022 1
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0042 0.0863
Loa Loa (eye worm) hypothetical protein 0.0027 0.0079 0.977
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0042 1
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0026 0.1161
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0081 1
Brugia malayi Papain family cysteine protease containing protein 0.0009 0.0012 0.1442
Echinococcus multilocularis cysteine protease 0.0017 0.0042 0.0031
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0042 0.3513
Leishmania major cathepsin L-like protease 0.0017 0.0042 0.0863
Loa Loa (eye worm) hypothetical protein 0.0013 0.0026 0.3259
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0026 0.3156
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0028 0.0017
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0042 0.523
Entamoeba histolytica cysteine proteinase, putative 0.0012 0.0021 0.3182
Echinococcus granulosus intermediate filament protein 0.0028 0.0081 0.0069
Onchocerca volvulus 0.0017 0.0042 0.3513
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0042 0.3513
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0009 0.0012 0.0045
Brugia malayi Cathepsin L-like precursor 0.0012 0.0021 0.2647
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0042 0.0031
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0042 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0042 1
Echinococcus granulosus cathepsin l1 0.0012 0.0021 0.001
Plasmodium vivax vivapain-2 0.0017 0.0042 1
Schistosoma mansoni microtubule-associated protein tau 0.0716 0.2586 1
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.022 1
Toxoplasma gondii cathepsin CPL 0.0017 0.0042 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0042 1
Onchocerca volvulus 0.0017 0.0042 0.3513
Schistosoma mansoni lamin 0.0028 0.0081 0.0313
Loa Loa (eye worm) hypothetical protein 0.0013 0.0026 0.3259
Leishmania major cathepsin L-like protease 0.0017 0.0042 0.0863
Schistosoma mansoni cathepsin F (C01 family) 0.0012 0.0021 0.0083
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.0169 0.7656
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0042 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) < 10 % Inhibition of SARS coronavirus His-3C-like protease at 100 uM ChEMBL. 17381079
Inhibition (binding) < 10 % 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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