Detailed information for compound 631669

Basic information

Technical information
  • TDR Targets ID: 631669
  • Name: 2,3,3-trichloroprop-2-enyl 3-amino-6-phenylth ieno[5,4-b]pyridine-2-carboxylate
  • MW: 413.705 | Formula: C17H11Cl3N2O2S
  • H donors: 1 H acceptors: 2 LogP: 6.1 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClC(=C(COC(=O)c1sc2c(c1N)ccc(n2)c1ccccc1)Cl)Cl
  • InChi: 1S/C17H11Cl3N2O2S/c18-11(15(19)20)8-24-17(23)14-13(21)10-6-7-12(22-16(10)25-14)9-4-2-1-3-5-9/h1-7H,8,21H2
  • InChiKey: HWRAHDAKXQXXBX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,3,3-trichloroprop-2-enyl 3-amino-6-phenyl-thieno[5,4-b]pyridine-2-carboxylate
  • 3-amino-6-phenyl-2-thieno[5,4-b]pyridinecarboxylic acid 2,3,3-trichloroprop-2-enyl ester
  • 3-amino-6-phenyl-thieno[5,4-b]pyridine-2-carboxylic acid 2,3,3-trichloroprop-2-enyl ester

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
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.1681 0.4788
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.1832 0.5318
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0313 0.094
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.1616 0.4563
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1378 0.1378
Trichomonas vaginalis pantothenate kinase, putative 0.0089 0.3169 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1378 0.2136
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0474 0.0312
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.5465 1
Trichomonas vaginalis pantothenate kinase, putative 0.0089 0.3169 1
Trichomonas vaginalis pantothenate kinase, putative 0.0089 0.3169 1
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.1832 0.5318
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.1103 0.2766
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0089 0.3169 0.9503
Giardia lamblia Kinase, CMGC MAPK 0.0057 0.1832 0.5318
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0474 0.0323
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1378 0.2066
Brugia malayi hypothetical protein 0.0053 0.1681 0.1681
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.1832 0.5318
Onchocerca volvulus Huntingtin homolog 0.0255 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.1681 0.504
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0057 0.1832 0.5494
Schistosoma mansoni pantothenate kinase 0.0089 0.3169 0.5542
Leishmania major pantothenate kinase subunit, putative 0.0093 0.3334 1
Plasmodium falciparum pantothenate kinase 1, putative 0.0089 0.3169 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1378 0.2066
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.1832 0.5494
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1378 0.2066
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.1681 0.4788
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.1249 0.3278
Brugia malayi MAP kinase sur-1 0.0057 0.1832 0.1832
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.1249 0.1878
Brugia malayi hypothetical protein 0.0034 0.0905 0.0905
Echinococcus multilocularis mitogen activated protein kinase 3 0.0057 0.1832 0.2947
Echinococcus granulosus mitogen activated protein kinase 0.0057 0.1832 0.3046
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.1681 0.4788
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0313 0.0989
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0313 0.094
Giardia lamblia Pantothenate kinase 4 0.0089 0.3169 1
Toxoplasma gondii pantothenate kinase 0.0038 0.1046 0.2565
Entamoeba histolytica pantothenate kinase 1, putative 0.0089 0.3169 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0313 0.0313
Trichomonas vaginalis pantothenate kinase, putative 0.0089 0.3169 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1378 0.2066
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.1103 0.2766
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.1832 0.2947
Trypanosoma brucei pantothenate kinase subunit, putative 0.0089 0.3169 1
Echinococcus granulosus pantothenate kinase 4 0.0089 0.3169 0.5729
Trypanosoma brucei protein kinase, putative 0.0057 0.1832 0.5781
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.5298 1
Brugia malayi pantothenate kinase family protein 0.0089 0.3169 0.3169
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.1249 0.3278
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1378 0.2066
Loa Loa (eye worm) hypothetical protein 0.0255 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.1681 0.1681
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.5465 0.5465
Onchocerca volvulus Huntingtin homolog 0.0255 1 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.1249 0.3278
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0057 0.1832 0.5494
Loa Loa (eye worm) hypothetical protein 0.0255 1 1
Trichomonas vaginalis pantothenate kinase, putative 0.0089 0.3169 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0057 0.1832 0.3046
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0313 0.0313
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0057 0.1832 0.5318
Schistosoma mansoni hypothetical protein 0.0024 0.0474 0.0312
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.1681 0.5303
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1378 0.1378
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0057 0.1832 0.1832
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1378 0.2136
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0313 0.5
Loa Loa (eye worm) acetyltransferase 0.0145 0.5465 0.5465
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0313 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0057 0.1832 0.5494
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0057 0.1832 0.5781
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0313 0.094
Plasmodium vivax hypothetical protein, conserved 0.0038 0.1046 0.2565
Schistosoma mansoni pantothenate kinase 0.0089 0.3169 0.5542
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0093 0.3334 1
Loa Loa (eye worm) pantothenate kinase 0.0089 0.3169 0.3169
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0057 0.1832 0.5494
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.1103 0.2766
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.1832 0.5318
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.1249 0.3278
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0313 0.5
Plasmodium vivax pantothenate kinase, putative 0.0089 0.3169 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.1249 0.3278
Leishmania major hypothetical protein, conserved 0.0053 0.1681 0.504
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.1832 0.5494
Echinococcus multilocularis mitogen activated protein kinase 0.0057 0.1832 0.2947
Plasmodium falciparum pantothenate kinase 2, putative 0.0038 0.1046 0.2565
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.1681 0.504
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0313 0.5
Echinococcus multilocularis pantothenate kinase 4 0.0089 0.3169 0.5542
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.5465 1
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.1681 0.4788
Toxoplasma gondii fumble protein 0.0089 0.3169 1

Activities

No activities found for this compound.

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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