TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 293.702 | Formula: C14H12ClNO4
H donors: 1 H acceptors: 2 LogP: 2.68 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(OC)[nH]cc(c1=O)C(=O)c1ccccc1Cl
InChi: 1S/C14H12ClNO4/c1-19-13-12(18)9(7-16-14(13)20-2)11(17)8-5-3-4-6-10(8)15/h3-7H,1-2H3,(H,16,18)
InChiKey: GVVWTMUQMUDUMP-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus	Pyruvate kinase homolog	0.0032	0.1066	0.5
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0147	0.0058
Plasmodium vivax	pyruvate kinase, putative	0.0032	0.1066	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0785	0.7367
Toxoplasma gondii	exonuclease III APE	0.0019	0.0147	0.1379
Loa Loa (eye worm)	pyruvate kinase-PB	0.0023	0.0403	0.039
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0032	0.1066	0.1449
Entamoeba histolytica	pyruvate kinase, putative	0.0023	0.0403	0.2208
Echinococcus multilocularis	pyruvate kinase	0.0032	0.1066	0.1066
Entamoeba histolytica	hypothetical protein	0.0036	0.1307	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0032	0.1066	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.1307	0.1307
Chlamydia trachomatis	pyruvate kinase	0.0032	0.1066	0.5
Echinococcus multilocularis	pyruvate kinase	0.0026	0.0605	0.0605
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.1066	0.1399
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.6713	1
Trichomonas vaginalis	pyruvate kinase, putative	0.0032	0.1066	1
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0032	0.1066	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0147	0.1379
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.1066	0.1399
Trichomonas vaginalis	pyruvate kinase, putative	0.0032	0.1066	1
Brugia malayi	MH2 domain containing protein	0.0116	0.6713	1
Toxoplasma gondii	pyruvate kinase PyK1	0.0032	0.1066	1
Giardia lamblia	Pyruvate kinase	0.0032	0.1066	1
Leishmania major	pyruvate kinase	0.0032	0.1066	1
Echinococcus granulosus	pyruvate kinase	0.0032	0.1066	0.1066
Trypanosoma brucei	pyruvate kinase 1	0.0032	0.1066	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0785	0.6946
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0147	0.1379
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0147	0.0147
Leishmania major	hypothetical protein, conserved	0.0028	0.0785	0.6946
Schistosoma mansoni	hypothetical protein	0.0036	0.1307	0.1307
Schistosoma mansoni	ap endonuclease	0.0019	0.0147	0.0147
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0785	0.7367
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0785	0.6946
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0147	0.0147
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0785	0.6946
Mycobacterium ulcerans	pyruvate kinase	0.0032	0.1066	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0147	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.1307	1
Trypanosoma brucei	pyruvate kinase 1, putative	0.0032	0.1066	1
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0032	0.1066	0.1449
Plasmodium falciparum	pyruvate kinase	0.0032	0.1066	1
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0032	0.1066	0.5
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1066	0.1399
Schistosoma mansoni	pyruvate kinase	0.0032	0.1066	0.1066
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.1307	0.1307
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0147	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0785	0.0972
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0403	0.039
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0032	0.1066	1
Echinococcus granulosus	pyruvate kinase	0.0032	0.1066	0.1066
Schistosoma mansoni	pyruvate kinase	0.0032	0.1066	0.1066
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.1066	0.1399
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.6713	1
Brugia malayi	hypothetical protein	0.0036	0.1307	0.1815
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0032	0.1066	1
Brugia malayi	hypothetical protein	0.0028	0.0785	0.1025
Entamoeba histolytica	hypothetical protein	0.0036	0.1307	1
Entamoeba histolytica	hypothetical protein	0.0036	0.1307	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0147	0.1379
Echinococcus multilocularis	pyruvate kinase	0.0032	0.1066	0.1066
Onchocerca volvulus	Pyruvate kinase homolog	0.0032	0.1066	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.1307	0.1307
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0785	0.7367
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0785	0.7367
Leishmania major	pyruvate kinase	0.0032	0.1066	1
Schistosoma mansoni	ap endonuclease	0.0019	0.0147	0.0147

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

ChEMBL: CHEMBL1087371

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1186272