TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 278.757 | Formula: C13H11ClN2OS
H donors: 1 H acceptors: 1 LogP: 3.11 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Cc1cccs1)NN=Cc1ccccc1Cl
InChi: 1S/C13H11ClN2OS/c14-12-6-2-1-4-10(12)9-15-16-13(17)8-11-5-3-7-18-11/h1-7,9H,8H2,(H,16,17)/b15-9-
InChiKey: CYIHIDSZSUFJNA-DHDCSXOGSA-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
Brugia malayi	methionyl-tRNA synthetase	0.0053	0.4211	0.4211
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.338	0.338
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0009	0.0135	0.032
Plasmodium vivax	methionine--tRNA ligase, putative	0.002	0.1155	0.2504
Loa Loa (eye worm)	tyrosyl-tRNA synthetase	0.0033	0.2324	0.2324
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0009	0.0135	0.032
Giardia lamblia	Leucyl-tRNA synthetase	0.002	0.1155	0.2504
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0009	0.0135	0.032
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.338	0.338
Echinococcus granulosus	voltage gated potassium channel subunit	0.0009	0.0135	0.032
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0009	0.0135	0.032
Brugia malayi	protein ZK524.3	0.002	0.1155	0.1155
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0009	0.0135	0.032
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0009	0.0135	0.032
Chlamydia trachomatis	methionine--tRNA ligase	0.002	0.1155	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0009	0.0135	0.032
Loa Loa (eye worm)	hypothetical protein	0.002	0.1155	0.1155
Loa Loa (eye worm)	oxidoreductase	0.0009	0.0135	0.0135
Loa Loa (eye worm)	oxidoreductase	0.0009	0.0135	0.0135
Loa Loa (eye worm)	hypothetical protein	0.002	0.1155	0.1155
Echinococcus granulosus	methionyl tRNA synthetase cytoplasmic	0.002	0.1155	0.2744
Schistosoma mansoni	methionine-tRNA synthetase	0.0053	0.4211	1
Mycobacterium ulcerans	leucyl-tRNA synthetase	0.002	0.1155	0.2504
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0009	0.0135	0.032
Loa Loa (eye worm)	oxidoreductase	0.0009	0.0135	0.0135
Loa Loa (eye worm)	oxidoreductase	0.0009	0.0135	0.0135
Schistosoma mansoni	methionine-tRNA synthetase	0.002	0.1155	0.2744
Echinococcus multilocularis	aldo keto reductase	0.0009	0.0135	0.032
Schistosoma mansoni	aldo-keto reductase	0.0009	0.0135	0.032
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0009	0.0135	0.0135
Leishmania major	methionyl-tRNA synthetase, putative	0.0053	0.4211	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0009	0.0135	0.032
Onchocerca volvulus		0.0033	0.2324	1
Plasmodium falciparum	methionine--tRNA ligase, putative	0.002	0.1155	0.2504
Echinococcus multilocularis	aldo keto reductase	0.0009	0.0135	0.032
Treponema pallidum	leucyl-tRNA synthetase	0.002	0.1155	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0009	0.0135	0.032
Chlamydia trachomatis	leucine--tRNA ligase	0.002	0.1155	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.338	0.8028
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0009	0.0135	0.0135
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0009	0.0135	0.0135
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0009	0.0135	0.032
Schistosoma mansoni	pol-related	0.0009	0.0135	0.032
Loa Loa (eye worm)	oxidoreductase	0.0009	0.0135	0.0135
Treponema pallidum	methionyl-tRNA synthetase	0.002	0.1155	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.338	0.8028
Mycobacterium ulcerans	methionyl-tRNA synthetase	0.0053	0.4211	1
Echinococcus granulosus	aldo keto reductase	0.0009	0.0135	0.032
Wolbachia endosymbiont of Brugia malayi	methionyl-tRNA synthetase	0.0053	0.4211	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.338	0.8028
Echinococcus granulosus	aldo keto reductase	0.0009	0.0135	0.032
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.338	0.8028
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0009	0.0135	0.032
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0135	0.0135
Trichomonas vaginalis	methionine-tRNA synthetase, putative	0.0053	0.4211	1
Plasmodium vivax	hypothetical protein, conserved	0.002	0.1155	0.2504
Plasmodium vivax	methionine--tRNA ligase, putative	0.0053	0.4211	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0009	0.0135	0.0135
Echinococcus multilocularis	aldo keto reductase	0.0009	0.0135	0.032
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0009	0.0135	0.032
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0009	0.0135	0.032
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0009	0.0135	0.032
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0009	0.0135	0.0135
Toxoplasma gondii	tRNA ligases class I (M) protein	0.002	0.1155	0.2504
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0009	0.0135	0.032
Trypanosoma cruzi	methionyl-tRNA synthetase, putative	0.0053	0.4211	1
Echinococcus granulosus	aldo keto reductase	0.0009	0.0135	0.032
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.338	0.8028
Schistosoma mansoni	leucyl-tRNA synthetase	0.002	0.1155	0.2744
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0009	0.0135	0.032
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0009	0.0135	0.0135
Plasmodium falciparum	methionine--tRNA ligase	0.0053	0.4211	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.338	0.8028
Echinococcus multilocularis	aldo keto reductase	0.0009	0.0135	0.032
Trypanosoma brucei	methionyl-tRNA synthetase, putative	0.0053	0.4211	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0009	0.0135	0.032
Entamoeba histolytica	methionyl-tRNA synthetase, putative	0.002	0.1155	1
Schistosoma mansoni	potassium channel beta	0.0009	0.0135	0.032
Loa Loa (eye worm)	methionyl-tRNA synthetase	0.0053	0.4211	0.4211
Loa Loa (eye worm)	hypothetical protein	0.002	0.1155	0.1155
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0009	0.0135	0.032
Giardia lamblia	Methionyl-tRNA synthetase	0.0053	0.4211	1
Toxoplasma gondii	methionyl-tRNA synthetase	0.0053	0.4211	1
Echinococcus granulosus	methionine tRNA synthetase	0.0053	0.4211	1
Echinococcus multilocularis	methionine tRNA synthetase	0.0053	0.4211	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0009	0.0135	0.032
Echinococcus multilocularis	methionyl tRNA synthetase, cytoplasmic	0.002	0.1155	0.2744
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.338	0.8028
Brugia malayi	NADH-dependent xylose reductase	0.0009	0.0135	0.0135
Schistosoma mansoni	aldo-keto reductase	0.0009	0.0135	0.032
Echinococcus granulosus	hypothetical protein	0.0009	0.0135	0.032
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0009	0.0135	0.032
Leishmania major	leucyl-tRNA synthetase, putative	0.002	0.1155	0.2504
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0009	0.0135	0.032
Mycobacterium tuberculosis	Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase)	0.0053	0.4211	1
Mycobacterium leprae	Probable methionyl-tRNA synthase MetS	0.0053	0.4211	1
Brugia malayi	methionyl-tRNA synthetase	0.002	0.1155	0.1155
Echinococcus multilocularis	leucyl tRNA synthetase	0.002	0.1155	0.2744

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 657030