Detailed information for compound 172489

Basic information

Technical information
  • TDR Targets ID: 172489
  • Name: ethyl 3-amino-4-oxo-6-pyridin-3-ylthieno[3,2- c]pyran-2-carboxylate
  • MW: 316.332 | Formula: C15H12N2O4S
  • H donors: 1 H acceptors: 3 LogP: 2.61 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1sc2c(c1N)c(=O)oc(c2)c1cccnc1
  • InChi: 1S/C15H12N2O4S/c1-2-20-15(19)13-12(16)11-10(22-13)6-9(21-14(11)18)8-4-3-5-17-7-8/h3-7H,2,16H2,1H3
  • InChiKey: CNXIOQVBTGOAJF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 3-amino-4-oxo-6-(3-pyridyl)thieno[3,2-c]pyran-2-carboxylate
  • 3-amino-4-oxo-6-(3-pyridyl)-2-thieno[3,2-c]pyrancarboxylic acid ethyl ester
  • ethyl 3-azanyl-4-oxo-6-pyridin-3-yl-thieno[3,2-c]pyran-2-carboxylate
  • 3-amino-4-keto-6-(3-pyridyl)thieno[3,2-c]pyran-2-carboxylic acid ethyl ester
  • ethyl 3-amino-4-oxo-6-pyridin-3-ylthieno[4,5-c]pyran-2-carboxylate
  • ethyl 3-amino-4-oxo-6-(3-pyridyl)thieno[4,5-c]pyran-2-carboxylate
  • 3-amino-4-oxo-6-(3-pyridyl)-2-thieno[4,5-c]pyrancarboxylic acid ethyl ester
  • 3-amino-4-keto-6-(3-pyridyl)thieno[4,5-c]pyran-2-carboxylic acid ethyl ester
  • ethyl 3-amino-4-oxo-6-pyridin-3-yl-thieno[4,5-c]pyran-2-carboxylate
  • Ethyl 3-amino-4-oxo-6-(3-pyridyl)thiopheno[4,5-c]2H-pyran-2-carboxylate
  • AIDS-084949
  • AIDS084949

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 mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.1559 0.2906 0.2906
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0159 0.0246 0.0799
Loa Loa (eye worm) hypothetical protein 0.011 0.0152 0.0153
Echinococcus granulosus serine protein kinase ATM 0.0038 0.0015 0.0015
Schistosoma mansoni smad1 5 8 and 0.0036 0.0011 0.0011
Entamoeba histolytica hypothetical protein 0.0156 0.024 0.7306
Schistosoma mansoni serine/threonine protein kinase 0.1578 0.2943 0.2943
Schistosoma mansoni smad 0.0036 0.0011 0.0011
Brugia malayi RNA recognition motif domain containing protein 0.0075 0.0085 0.0085
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0067 0.007 0.0192
Brugia malayi MH2 domain containing protein 0.0036 0.0011 0.0011
Echinococcus granulosus smad 0.0036 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.1559 0.2906 0.2917
Brugia malayi Smad1 0.0036 0.0011 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.02 0.0323 1
Echinococcus multilocularis 0.3732 0.7037 0.9781
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0159 0.0246 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0148 0.4327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0134 0.0198 0.594
Echinococcus granulosus TGF beta signal transducer SmadC 0.0036 0.0011 0.0011
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.02 0.0323 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0067 0.007 0.0098
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.1559 0.2906 0.2917
Plasmodium vivax chorismate synthase 0.272 0.5114 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0171 0.0268 0.8197
Trichomonas vaginalis PIKK family atypical protein kinase 0.0149 0.0226 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0168 0.4963
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0148 0.4327
Brugia malayi MH2 domain containing protein 0.0527 0.0944 0.0944
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.0245 0.7477
Trichomonas vaginalis PIKK family atypical protein kinase 0.0149 0.0226 0.684
Schistosoma mansoni hypothetical protein 0.1559 0.2906 0.2906
Echinococcus granulosus tar DNA binding protein 0.0075 0.0085 0.0085
Onchocerca volvulus 0.1559 0.2906 1
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1559 0.2906 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0156 0.024 0.0334
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.02 0.0323 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.02 0.0323 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.0245 0.7477
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.0245 0.7477
Trichomonas vaginalis PIKK family atypical protein kinase 0.012 0.017 0.5037
Chlamydia trachomatis chorismate synthase 0.272 0.5114 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0075 0.0085 0.0085
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.02 0.0323 0.1067
Schistosoma mansoni microtubule-associated protein tau 0.3815 0.7194 0.7194
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0045 0.0976
Trypanosoma cruzi target of rapamycin kinase 3 0.0159 0.0246 0.0799
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0038 0.0015 0.0015
Mycobacterium tuberculosis Probable chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase) 0.1341 0.2493 0.5
Plasmodium falciparum chorismate synthase 0.272 0.5114 0.5
Echinococcus granulosus Smad4 0.0036 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0042 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.1559 0.2906 0.2917
Trichomonas vaginalis PIKK family atypical protein kinase 0.0149 0.0226 0.684
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.1559 0.2906 0.2906
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.007 0.1803
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0156 0.024 0.0241
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1559 0.2906 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0042 0.0023 0.0016
Echinococcus multilocularis Smad4 0.0036 0.0011 0.0015
Echinococcus granulosus serine:threonine protein kinase mig 15 0.5272 0.9964 1
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.1559 0.2906 0.404
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0038 0.0015 0.002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0168 0.4963
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0049 0.0049
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0038 0.0015 0.0015
Schistosoma mansoni vam6/vps39 related 0.1559 0.2906 0.2906
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.02 0.0323 0.1067
Brugia malayi hypothetical protein 0.0156 0.024 0.024
Echinococcus multilocularis smad 0.0036 0.0011 0.0015
Schistosoma mansoni hypothetical protein 0.0156 0.024 0.024
Schistosoma mansoni rap gtpase-activating protein 0.1559 0.2906 0.2906
Brugia malayi Protein kinase domain containing protein 0.1578 0.2943 0.2943
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.02 0.0323 0.1067
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0067 0.007 0.0192
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.007 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0149 0.0226 0.684
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0038 0.0015 0.0015
Echinococcus granulosus Vam6:Vps39 protein 0.1559 0.2906 0.2917
Echinococcus multilocularis tar DNA binding protein 0.0075 0.0085 0.0118
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0023 0.0266
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0148 0.4316
Echinococcus multilocularis tumor protein p63 0.0753 0.1373 0.1909
Echinococcus multilocularis mothers against decapentaplegic 5 0.0036 0.0011 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.012 0.017 0.5037
Loa Loa (eye worm) MH2 domain-containing protein 0.0036 0.0011 0.0011
Echinococcus granulosus protein kinase 0.3732 0.7037 0.7062
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1578 0.2943 0.409
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.02 0.0323 0.0324
Loa Loa (eye worm) hypothetical protein 0.0041 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.5272 0.9964 1
Schistosoma mansoni smad1 5 8 and 0.0036 0.0011 0.0011
Echinococcus multilocularis microtubule associated protein 2 0.3815 0.7194 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0527 0.0944 0.0947
Loa Loa (eye worm) TAR-binding protein 0.0075 0.0085 0.0085
Brugia malayi hypothetical protein 0.1559 0.2906 0.2906
Trichomonas vaginalis PIKK family atypical protein kinase 0.012 0.017 0.5037
Echinococcus granulosus microtubule associated protein 2 0.3815 0.7194 0.722
Schistosoma mansoni transcription factor LCR-F1 0.0156 0.024 0.024
Schistosoma mansoni cellular tumor antigen P53 0.011 0.0152 0.0152
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.02 0.0323 0.0323
Schistosoma mansoni protein kinase 0.5291 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0038 0.0015 0.0015
Toxoplasma gondii target of rapamycin (TOR), putative 0.0149 0.0226 0.0414
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.1578 0.2943 0.2953
Echinococcus granulosus mothers against decapentaplegic 5 0.0036 0.0011 0.0011
Schistosoma mansoni tar DNA-binding protein 0.0075 0.0085 0.0085
Trichomonas vaginalis PIKK family atypical protein kinase 0.02 0.0323 1
Loa Loa (eye worm) RNA binding protein 0.0075 0.0085 0.0085
Schistosoma mansoni hypothetical protein 0.0038 0.0015 0.0015
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0067 0.007 0.007
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0067 0.007 0.007
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.02 0.0323 0.0323
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.007 0.1803
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0095 0.0123 0.0374
Brugia malayi RNA binding protein 0.0075 0.0085 0.0085
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0038 0.0015 0.0015
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0067 0.007 0.0071
Schistosoma mansoni tar DNA-binding protein 0.0075 0.0085 0.0085
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.02 0.0323 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0148 0.4327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.007 0.1803
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0049 0.0049
Trichomonas vaginalis PIKK family atypical protein kinase 0.02 0.0323 1
Entamoeba histolytica hypothetical protein 0.0156 0.024 0.7306
Echinococcus granulosus tumor protein p63 0.0753 0.1373 0.1378
Entamoeba histolytica hypothetical protein 0.0156 0.024 0.7306
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.1578 0.2943 0.409
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0049 0.0049
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1578 0.2943 0.409
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.1578 0.2943 0.2953
Brugia malayi Temporarily assigned gene name protein 59 0.1559 0.2906 0.2906
Schistosoma mansoni tar DNA-binding protein 0.0075 0.0085 0.0085
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0148 0.4316
Brugia malayi MH2 domain containing protein 0.0036 0.0011 0.0011
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1559 0.2906 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0149 0.0226 0.684
Giardia lamblia GTOR 0.02 0.0323 0.5
Entamoeba histolytica hypothetical protein 0.0156 0.024 0.7306
Schistosoma mansoni protein kinase 0.1578 0.2943 0.2943
Brugia malayi TAR-binding protein 0.0075 0.0085 0.0085
Mycobacterium ulcerans chorismate synthase 0.272 0.5114 0.5
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0036 0.0011 0.0011
Schistosoma mansoni smad1 5 8 and 0.0036 0.0011 0.0011
Echinococcus multilocularis serine protein kinase ATM 0.0038 0.0015 0.002
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.02 0.0323 0.0449
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.02 0.0323 0.1067
Mycobacterium leprae Chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase). 0.1341 0.2493 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0148 0.4316
Loa Loa (eye worm) hypothetical protein 0.1559 0.2906 0.2917
Toxoplasma gondii chorismate synthase, putative 0.272 0.5114 1
Schistosoma mansoni protein kinase 0.3732 0.7037 0.7037
Schistosoma mansoni serine/threonine protein kinase 0.1578 0.2943 0.2943
Trichomonas vaginalis PIKK family atypical protein kinase 0.013 0.019 0.5673
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0038 0.0015 0.0015
Schistosoma mansoni tar DNA-binding protein 0.0075 0.0085 0.0085
Schistosoma mansoni Smad4 0.0036 0.0011 0.0011
Loa Loa (eye worm) phosphatidylinositol 3 0.02 0.0323 0.0324
Loa Loa (eye worm) phosphatidylinositol 3 0.0067 0.007 0.0071
Loa Loa (eye worm) transcription factor SMAD2 0.0527 0.0944 0.0947
Schistosoma mansoni tar DNA-binding protein 0.0075 0.0085 0.0085
Loa Loa (eye worm) Smad1 0.0036 0.0011 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.0245 0.7477
Brugia malayi MH1 domain containing protein 0.0036 0.0011 0.0011
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1578 0.2943 0.2953
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1578 0.2943 0.2953
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0067 0.007 0.0192
Brugia malayi MH1 domain containing protein 0.0036 0.0011 0.0011
Onchocerca volvulus 0.011 0.0152 0.0523
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0067 0.007 0.0192
Loa Loa (eye worm) MH1 domain-containing protein 0.0036 0.0011 0.0011
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.3732 0.7037 0.7062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.007 0.1803
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0083 0.0101 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0149 0.0226 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0159 0.0245 0.7477
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0148 0.4327
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0036 0.0011 0.0015
Schistosoma mansoni fkbp-rapamycin associated protein 0.0038 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0149 0.0226 0.684

Activities

Activity type Activity value Assay description Source Reference
Growth inhibition (functional) = 15 % An vitro anti-leishmanial activity against Leishmania donovani promastigotes (25 microM) ChEMBL. No reference
Growth inhibition (functional) = 15 % An vitro anti-leishmanial activity against Leishmania donovani promastigotes (25 microM) ChEMBL. No reference
MIC (functional) > 100 ug ml-1 Antifungal activity against Aspergillus fumigatus (AF-27) ChEMBL. No reference
MIC (functional) > 100 ug ml-1 Antifungal activity against Candida albicans (SKF) ChEMBL. No reference
MIC (functional) > 100 ug ml-1 Atifungal activity against Cryptococcus neoformans (CN-17) ChEMBL. No reference
MIC (functional) > 100 ug ml-1 In vitro for antifungal activity against Sporothrix schenck ii (SS-1) ChEMBL. No reference
MIC (functional) > 100 ug ml-1 In vitro for antifungal activity against Trichophyton mentagrophytes (A-280) ChEMBL. No reference
MIC (functional) > 100 ug ml-1 Antifungal activity against Candida albicans (SKF) ChEMBL. No reference
MIC (functional) > 100 ug ml-1 Atifungal activity against Cryptococcus neoformans (CN-17) 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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