TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 340.356 | Formula: C16H12N4O3S
H donors: 0 H acceptors: 4 LogP: 3.9 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: [O-][N+](=O)c1cccc(c1)CSc1nnc(n2c1cc1c2cco1)C
InChi: 1S/C16H12N4O3S/c1-10-17-18-16(14-8-15-13(19(10)14)5-6-23-15)24-9-11-3-2-4-12(7-11)20(21)22/h2-8H,9H2,1H3
InChiKey: NTJMRVRAFLCKSS-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
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.006	0.0296	0.1362
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.0296	0.042
Chlamydia trachomatis	hypothetical protein	0.0021	0.0051	0.5
Echinococcus granulosus	mitogen activated protein kinase	0.006	0.0296	0.0296
Mycobacterium ulcerans	integral membrane protein	0.0021	0.0051	0.5
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0104	0.0361
Echinococcus multilocularis	CAAX prenyl protease 2	0.0103	0.0571	0.0571
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.0296	0.042
Brugia malayi	hypothetical protein	0.003	0.0104	0.0099
Mycobacterium ulcerans	hypothetical protein	0.0021	0.0051	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.014	0.0806	0.0806
Schistosoma mansoni	hemoglobinase (C13 family)	0.1081	0.6805	0.6805
Trypanosoma cruzi	cysteine peptidase, Clan CD, family C13, putative	0.0251	0.1514	1
Brugia malayi	CAAX amino terminal protease family protein	0.0103	0.0571	0.0789
Echinococcus granulosus	mitogen activated protein kinase 3	0.006	0.0296	0.0296
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0257	0.0257
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0016	0.002	0.002
Trypanosoma brucei	protein kinase, putative	0.006	0.0296	0.1362
Giardia lamblia	GPI-anchor transamidase, putative	0.0251	0.1514	1
Trypanosoma cruzi	CAAX prenyl protease 2, putative	0.0103	0.0571	0.3312
Trypanosoma brucei	GPI-anchor transamidase subunit 8 (GPI8)	0.0251	0.1514	1
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.0296	0.042
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0104	0.0361
Trichomonas vaginalis	Clan CD, family C13, legumain-like cysteine peptidase	0.0251	0.1514	0.2213
Brugia malayi	Peptidase C13 family protein	0.1081	0.6805	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0257	0.0257
Echinococcus multilocularis	mitogen activated protein kinase	0.006	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0277	0.168	0.2419
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.006	0.0296	0.1362
Trichomonas vaginalis	Clan CD, family C13, legumain-like cysteine peptidase	0.0251	0.1514	0.2213
Trypanosoma brucei	CAAX amino terminal protease, putative	0.0103	0.0571	0.3312
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0257	0.0257
Schistosoma mansoni	family C13 non-peptidase homologue (C13 family)	0.1081	0.6805	0.6805
Schistosoma mansoni	glycosylphosphatidylinositol:protein transamidase (C13 family)	0.0251	0.1514	0.1514
Loa Loa (eye worm)	hypothetical protein	0.0251	0.1514	0.2173
Loa Loa (eye worm)	peptidase C13 family protein	0.1081	0.6805	1
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0021	0.0051	0.5
Trichomonas vaginalis	Clan CD, family C13, legumain-like cysteine peptidase	0.0251	0.1514	0.2213
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.006	0.0296	0.1362
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.0296	0.042
Schistosoma mansoni	hypothetical protein	0.0057	0.0276	0.0276
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0057	0.0276	0.0352
Onchocerca volvulus		0.0066	0.0335	0.0092
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0016	0.002	0.002
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0125	0.0711	0.451
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.0257	0.0325
Entamoeba histolytica	CAAX prenyl protease family	0.0103	0.0571	0.3554
Echinococcus multilocularis	cpg binding protein	0.007	0.0359	0.0359
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0021	0.0051	0.5
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.006	0.0296	0.1362
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.0257	0.0313
Schistosoma mansoni	hemoglobinase (C13 family)	0.1081	0.6805	0.6805
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0016	0.002	0.002
Echinococcus granulosus	GPI anchor transamidase	0.0251	0.1514	0.1514
Giardia lamblia	Hypothetical protein	0.0103	0.0571	0.2257
Echinococcus multilocularis	dnaJ subfamily B	0.0938	0.5893	0.5893
Leishmania major	CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48)	0.0103	0.0571	0.3312
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.002	0.0045	0.0045
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0103	0.0571	0.0571
Echinococcus granulosus	dnaJ subfamily B	0.0938	0.5893	0.5893
Echinococcus multilocularis	survival motor neuron protein 1	0.0277	0.168	0.168
Schistosoma mansoni	cpg binding protein	0.0066	0.0335	0.0335
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0257	0.0257
Trichomonas vaginalis	Clan CD, family C13, legumain-like cysteine peptidase	0.1081	0.6805	1
Trichomonas vaginalis	Clan CD, family C13, legumain-like cysteine peptidase	0.1081	0.6805	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0104	0.0086
Trichomonas vaginalis	Clan CD, family C13, legumain-like cysteine peptidase	0.1081	0.6805	1
Trichomonas vaginalis	Clan CD, family C13, legumain-like cysteine peptidase	0.1081	0.6805	1
Brugia malayi	GPI-anchor transamidase	0.0251	0.1514	0.2183
Plasmodium vivax	GPI-anchor transamidase, putative	0.0251	0.1514	1
Trichomonas vaginalis	Clan U, family U48, CaaX prenyl peptidase 2-like	0.0103	0.0571	0.0825
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0104	0.0361
Schistosoma mansoni	cpg binding protein	0.007	0.0359	0.0359
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0016	0.002	0.002
Trichomonas vaginalis	Clan CD, family C13, legumain-like cysteine peptidase	0.1081	0.6805	1
Mycobacterium tuberculosis	Probable integral membrane protein	0.0021	0.0051	0.5
Echinococcus granulosus	survival motor neuron protein 1	0.0277	0.168	0.168
Treponema pallidum	hypothetical protein	0.0021	0.0051	0.5
Onchocerca volvulus	Legumain homolog	0.1081	0.6805	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0016	0.002	0.002
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.006	0.0296	0.1362
Leishmania major	GPI-anchor transamidase subunit 8 (GPI8), putative	0.0251	0.1514	1
Brugia malayi	hypothetical protein	0.0277	0.168	0.2428
Brugia malayi	CXXC zinc finger family protein	0.0066	0.0335	0.0441
Schistosoma mansoni	survival motor neuron protein	0.0057	0.0276	0.0276
Echinococcus multilocularis	microtubule associated protein 2	0.1583	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.006	0.0296	0.0296
Trichomonas vaginalis	Clan CD, family C13, legumain-like cysteine peptidase	0.1081	0.6805	1
Toxoplasma gondii	peptidase c13 family protein	0.0251	0.1514	1
Schistosoma mansoni	microtubule-associated protein tau	0.1583	1	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.006	0.0296	0.1675
Entamoeba histolytica	GPI-anchor transamidase, putative	0.0251	0.1514	1
Echinococcus granulosus	cpg binding protein	0.007	0.0359	0.0359
Brugia malayi	F/Y-rich N-terminus family protein	0.002	0.0044	0.001
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0257	0.0257
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0104	0.0361
Echinococcus multilocularis	GPI anchor transamidase	0.0251	0.1514	0.1514
Schistosoma mansoni	cpg binding protein	0.007	0.0359	0.0359
Trichomonas vaginalis	Clan CD, family C13, legumain-like cysteine peptidase	0.1081	0.6805	1
Plasmodium falciparum	GPI-anchor transamidase, putative	0.0251	0.1514	1
Echinococcus multilocularis	mitogen activated protein kinase 3	0.006	0.0296	0.0296
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0021	0.0051	0.5
Brugia malayi	MAP kinase sur-1	0.006	0.0296	0.0382
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0257	0.0257
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.002	0.0045	0.0045
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.006	0.0296	0.1362
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0571	0.0777
Mycobacterium ulcerans	hypothetical protein	0.0021	0.0051	0.5
Schistosoma mansoni	hypothetical protein	0.0938	0.5893	0.5893
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0066	0.0335	0.0429
Echinococcus granulosus	CAAX prenyl protease 2	0.0103	0.0571	0.0571
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.006	0.0296	0.1362
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0257	0.0257
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0103	0.0571	0.0571
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.006	0.0296	0.037
Schistosoma mansoni	hypothetical protein	0.0831	0.5206	0.5206
Trypanosoma cruzi	peptidase with unknown catalytic mechanism (family U48)	0.0103	0.0571	0.3312

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 845621