TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 284.676 | Formula: C10H5ClN2O4S
H donors: 0 H acceptors: 4 LogP: 3.85 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)[N+](=O)[O-])c1ccsc1[N+](=O)[O-]
InChi: 1S/C10H5ClN2O4S/c11-6-1-2-7(9(5-6)12(14)15)8-3-4-18-10(8)13(16)17/h1-5H
InChiKey: XCXJLJOKDXXREF-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
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1379	0.5404	0.4586
Echinococcus granulosus	insulin receptor	0.0324	0.1194	0.1194
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1379	0.5404	0.4586
Schistosoma mansoni	tyrosine kinase	0.0049	0.0099	0.0099
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0045	0.0082	0.0082
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.1379	0.5404	0.5404
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0324	0.1194	0.1194
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.1379	0.5404	0.5404
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0049	0.0099	0.0099
Loa Loa (eye worm)	TK/INSR protein kinase	0.0324	0.1194	0.1137
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0049	0.0099	0.0099
Leishmania major	casein kinase II, putative	0.2531	1	1
Schistosoma mansoni	tyrosine kinase	0.101	0.3933	0.3933
Schistosoma mansoni	tyrosine kinase	0.0543	0.2071	0.2071
Leishmania major	protein kinase ck2 regulatory subunit, putative	0.1379	0.5404	0.5404
Entamoeba histolytica	protein kinase, putative	0.0041	0.0065	0.0065
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0543	0.2071	0.2071
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0324	0.1194	0.1194
Loa Loa (eye worm)	Csnk2b protein	0.1379	0.5404	0.5374
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.1379	0.5404	0.5404
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1379	0.5404	0.4586
Brugia malayi	casein kinase II, putaitve	0.0403	0.151	0.1439
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0038	0.0055	0.0055
Echinococcus granulosus	tyrosine kinase	0.0045	0.0082	0.0082
Brugia malayi	Protein kinase domain containing protein	0.0324	0.1194	0.1121
Plasmodium falciparum	casein kinase II beta chain	0.1379	0.5404	0.5404
Echinococcus multilocularis	insulin receptor	0.0324	0.1194	0.1194
Trichomonas vaginalis	CMGC family protein kinase	0.2531	1	1
Schistosoma mansoni	tyrosine kinase	0.0536	0.2043	0.2043
Trypanosoma brucei	Casein kinase II	0.2531	1	1
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0066	0.0168	0.0168
Trichomonas vaginalis	CMGC family protein kinase	0.2531	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.2531	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1379	0.5404	0.4586
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0049	0.0099	0.0099
Trypanosoma brucei	Casein kinase II subunit beta, putative	0.1379	0.5404	0.5404
Plasmodium falciparum	casein kinase II beta chain	0.1379	0.5404	0.5404
Schistosoma mansoni	tyrosine kinase	0.0324	0.1194	0.1194
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0049	0.0099	0.0099
Trichomonas vaginalis	CMGC family protein kinase	0.2531	1	1
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0049	0.0099	0.0099
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1379	0.5404	0.4586
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.1379	0.5404	0.5
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0403	0.151	0.151
Trichomonas vaginalis	CMGC family protein kinase	0.2531	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0049	0.0099	0.0099
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1379	0.5404	0.4586
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0049	0.0099	0.0099
Trichomonas vaginalis	CMGC family protein kinase	0.2531	1	1
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0049	0.0099	0.0099
Echinococcus granulosus	tyrosine protein kinase Blk	0.0045	0.0082	0.0082
Schistosoma mansoni	tyrosine kinase	0.0324	0.1194	0.1194
Echinococcus granulosus	casein kinase ii subunit alpha	0.2531	1	1
Loa Loa (eye worm)	TK/EGFR protein kinase	0.101	0.3933	0.3894
Trichomonas vaginalis	CMGC family protein kinase	0.2531	1	1
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0049	0.0099	0.0099
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1379	0.5404	0.4586
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.1379	0.5404	0.5404
Echinococcus granulosus	casein kinase ii subunit beta	0.1379	0.5404	0.5404
Echinococcus multilocularis	epidermal growth factor receptor	0.0543	0.2071	0.2071
Brugia malayi	Csnk2b protein	0.1379	0.5404	0.5365
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1379	0.5404	0.4586
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.2531	1	1
Echinococcus multilocularis	epidermal growth factor receptor	0.101	0.3933	0.3933
Schistosoma mansoni	tyrosine kinase	0.0536	0.2043	0.2043
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0049	0.0099	0.0099
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0041	0.0065	0.0065
Toxoplasma gondii	ck2 beta subunit	0.1379	0.5404	0.5404
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1379	0.5404	0.4586
Echinococcus multilocularis	casein kinase ii subunit alpha	0.2531	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1379	0.5404	0.4586
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0049	0.0099	0.0099
Echinococcus granulosus	epidermal growth factor receptor	0.0543	0.2071	0.2071
Echinococcus multilocularis		0.0312	0.1149	0.1149
Loa Loa (eye worm)	casein kinase II	0.0403	0.151	0.1454
Brugia malayi	SRC-1	0.0049	0.0099	0.0017
Giardia lamblia	Casein kinase II beta chain	0.1379	0.5404	0.4586
Trypanosoma cruzi	casein kinase II, putative	0.2531	1	1
Echinococcus granulosus	epidermal growth factor receptor	0.101	0.3933	0.3933
Schistosoma mansoni	casein kinase II beta subunit	0.1379	0.5404	0.5404
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0045	0.0082	0.0082
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0049	0.0099	0.0099
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1379	0.5404	0.4586
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0045	0.0082	0.0082
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.1379	0.5404	0.5404
Echinococcus granulosus	tyrosine protein kinase HCK	0.0041	0.0065	0.0065
Loa Loa (eye worm)	SRC-1	0.0049	0.0099	0.0034
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0082	0.0082
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0403	0.151	0.151
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.2531	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0049	0.0099	0.0099
Entamoeba histolytica	casein kinase, putative	0.2531	1	1
Plasmodium vivax	unspecified product	0.2531	1	1
Plasmodium falciparum	casein kinase 2, alpha subunit	0.2531	1	1
Giardia lamblia	Kinase, CMGC CK2	0.2531	1	1
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0049	0.0099	0.0099
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1379	0.5404	0.4586
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0049	0.0099	0.0099
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0038	0.0055	0.0055
Echinococcus multilocularis	casein kinase ii subunit beta	0.1379	0.5404	0.5404
Toxoplasma gondii	CMGC kinase, CK2 family	0.2531	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1379	0.5404	0.4586
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.1379	0.5404	0.5
Brugia malayi	Furin-like cysteine rich region family protein	0.101	0.3933	0.3883
Schistosoma mansoni	tyrosine kinase	0.0536	0.2043	0.2043
Entamoeba histolytica	protein kinase domain containing protein	0.2531	1	1
Schistosoma mansoni	tyrosine kinase	0.0049	0.0099	0.0099
Loa Loa (eye worm)	TK protein kinase	0.0045	0.0082	0.0017
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1379	0.5404	0.4586
Trichomonas vaginalis	casein kinase II beta chain, putative	0.1379	0.5404	0.4586
Schistosoma mansoni	tyrosine kinase	0.0543	0.2071	0.2071
Schistosoma mansoni	protein kinase	0.2531	1	1
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.1379	0.5404	0.5404
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0049	0.0099	0.0099

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: CHEMBL2229905

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1811470