TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 344.774 | Formula: C12H13ClN4O4S
H donors: 2 H acceptors: 4 LogP: 2.12 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: NCCOc1ccccc1C(=O)Nc1ncc(s1)[N+](=O)[O-].Cl
InChi: 1S/C12H12N4O4S.ClH/c13-5-6-20-9-4-2-1-3-8(9)11(17)15-12-14-7-10(21-12)16(18)19;/h1-4,7H,5-6,13H2,(H,14,15,17);1H
InChiKey: CPHGRXIHXJKSRD-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	PIKK family atypical protein kinase	0.1199	0.072	0.9901
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1199	0.072	0.9901
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1199	0.072	0.9917
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0682	0.0395	0.4569
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1209	0.0726	0.0617
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0671	0.0388	0.5242
Brugia malayi	FAT domain containing protein	0.0507	0.0284	0.3843
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0239	0.0116	0.1567
Loa Loa (eye worm)	phosphatidylinositol 3	0.012	0.0041	0.0561
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0693	0.0401	0.4675
Loa Loa (eye worm)	hypothetical protein	0.0746	0.0435	0.5988
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.123	0.074	0.2132
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0671	0.0388	0.0275
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1209	0.0726	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1209	0.0726	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0239	0.0116	0.1596
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0254	0.0125	0.0362
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0359	0.0191	0.1236
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0432	0.0237	0.1986
Schistosoma mansoni	hypothetical protein	0.0507	0.0284	0.2699
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0648	0.0373	0.4213
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0239	0.0116	0.0334
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0507	0.0284	0.017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.069	0.04	0.4651
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1209	0.0726	0.2093
Giardia lamblia	GTOR	0.1209	0.0726	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0755	0.0441	0.6071
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0179	0.0078	0.1057
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1199	0.072	0.199
Onchocerca volvulus		0.0239	0.0116	0.5
Toxoplasma gondii	target of rapamycin (TOR), putative	0.1197	0.0719	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.1199	0.072	0.2076
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1189	0.0714	0.9795
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1209	0.0726	1
Echinococcus multilocularis	Zinc finger, PHD finger	0.0293	0.0149	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0239	0.0116	0.1596
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1209	0.0726	0.2093
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0671	0.0388	0.4358
Leishmania major	hypothetical protein, unknown function	0.0239	0.0116	0.032
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0293	0.0149	0.2058
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1187	0.0713	0.9778
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0293	0.0149	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0293	0.0149	0.0557
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0827	0.0486	0.0374
Loa Loa (eye worm)	phosphatidylinositol 3	0.1209	0.0726	1
Leishmania major	phosphatidylinositol kinase, putative	0.0239	0.0116	0.032
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0293	0.0149	0.055
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0648	0.0373	0.4213
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0239	0.0116	0.1596
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0827	0.0486	0.5933
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0702	0.0407	0.4774
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0671	0.0388	0.1117
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0293	0.0149	0.0538
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0461	0.0256	0.0141
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1187	0.0713	0.9778
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0239	0.0116	0.1567
Leishmania major	hypothetical protein, conserved	0.5806	0.362	1
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0293	0.0149	0.055
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0306	0.0158	0.0686
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0239	0.0116	0.0334
Echinococcus multilocularis	serine protein kinase ATM	0.0686	0.0397	0.0285
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0686	0.0397	0.5471
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1178	0.0707	0.9731
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.012	0.0041	0.0117
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0767	0.0448	0.5448
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0648	0.0373	0.4213
Brugia malayi	Cytochrome P450 family protein	0.0117	0.0039	0.0522
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1209	0.0726	0.0617
Trichomonas vaginalis	PIKK family atypical protein kinase	0.119	0.0714	0.9803
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0055	0	0.5
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.123	0.074	0.0631
Loa Loa (eye worm)	phosphatidylinositol 3	0.0239	0.0116	0.1596
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1189	0.0714	0.9828
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0239	0.0116	0.032
Trichomonas vaginalis	conserved hypothetical protein	0.0432	0.0237	0.1986
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0395	0.0214	0.1602
Trichomonas vaginalis	conserved hypothetical protein	0.0507	0.0284	0.2758
Entamoeba histolytica	hypothetical protein	0.0686	0.0397	0.4611
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0546	0.0309	0.316
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0293	0.0149	0.2058
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0293	0.0149	0.0034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0671	0.0388	0.4454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1199	0.072	0.9901
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0648	0.0373	0.4213
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1197	0.0719	0.9877
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1199	0.072	0.9901
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0293	0.0149	0.0431
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0359	0.0191	0.2587
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0239	0.0116	0.5
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.123	0.074	0.2132
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0239	0.0116	0.1596
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0239	0.0116	0.0334
Trichomonas vaginalis	PIKK family atypical protein kinase	0.069	0.04	0.4651
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0686	0.0397	0.4512
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0671	0.0388	0.0275
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0293	0.0149	0.055
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1209	0.0726	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.119	0.0714	0.9803
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0359	0.0191	0.1236
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1178	0.0707	0.968
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0686	0.0397	0.1145
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1209	0.0726	0.9786
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0293	0.0149	0.0538
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0293	0.0149	0.202
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.123	0.074	0.0631
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0293	0.0149	0.0034
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1178	0.0707	0.1952
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0293	0.0149	0.0034
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0479	0.0267	0.2474
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0239	0.0116	0.1596
Loa Loa (eye worm)	hypothetical protein	0.0447	0.0247	0.3397
Loa Loa (eye worm)	phosphatidylinositol 3	0.1189	0.0714	0.9828
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0293	0.0149	0.0413
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1209	0.0726	0.2006
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0254	0.0125	0.0347
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.123	0.074	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.069	0.04	0.4651
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1178	0.0707	0.968
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0359	0.0191	0.1236
Trypanosoma cruzi	hypothetical protein, conserved	0.5566	0.3469	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0293	0.0149	0.055
Loa Loa (eye worm)	phosphatidylinositol 3	0.076	0.0444	0.6114
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0293	0.0149	0.0413
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1197	0.0719	0.9877
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1178	0.0707	0.968
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0461	0.0256	0.3455
Mycobacterium leprae	conserved hypothetical protein	0.0239	0.0116	0.5
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0293	0.0149	0.055
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0746	0.0435	0.5291
Entamoeba histolytica	hypothetical protein	0.0581	0.0331	0.3526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1197	0.0719	0.9877
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0648	0.0373	0.1075
Loa Loa (eye worm)	cytochrome P450 family protein	0.0117	0.0039	0.0532
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1187	0.0713	0.9778
Toxoplasma gondii	FATC domain-containing protein	0.0686	0.0397	0.4668
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.123	0.074	1
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0827	0.0486	0.0374
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0249	0.0122	0.0098
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1209	0.0726	1
Echinococcus granulosus	serine protein kinase ATM	0.0686	0.0397	0.0285
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0648	0.0373	0.5043
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1187	0.0713	0.9778
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0293	0.0149	0.0557
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0408	0.0222	0.1745
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1187	0.0713	0.9778
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0239	0.0116	0.1567
Trichomonas vaginalis	conserved hypothetical protein	0.0746	0.0435	0.5226
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	1.5941	1	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0447	0.0247	0.0711
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0359	0.0191	0.2634
Onchocerca volvulus		0.0239	0.0116	0.5
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0359	0.0191	0.121
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0686	0.0397	0.5372
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0359	0.0191	0.1236
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1209	0.0726	0.9819
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1187	0.0713	0.9778
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1197	0.0719	0.9877
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1178	0.0707	0.968
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1187	0.0713	0.9778
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1189	0.0714	0.1972
Loa Loa (eye worm)	hypothetical protein	0.0461	0.0256	0.3519
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0581	0.0331	0.3526
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0359	0.0191	0.1236
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1197	0.0719	0.9877
Loa Loa (eye worm)	phosphatidylinositol 3	0.0239	0.0116	0.1596
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0507	0.0284	0.017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1209	0.0726	1
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0293	0.0149	1
Loa Loa (eye worm)	hypothetical protein	0.0671	0.0388	0.5339
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1197	0.0719	0.9877
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0258	0.0128	0.1761
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0648	0.0373	0.1075
Entamoeba histolytica	protein kinase rad3, putative	0.0671	0.0388	0.4454
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0359	0.0191	0.0551
Loa Loa (eye worm)	hypothetical protein	0.0507	0.0284	0.3914
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1209	0.0726	0.2006
Loa Loa (eye worm)	hypothetical protein	0.0187	0.0083	0.1139
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0686	0.0397	0.4611
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0239	0.0116	0.0334
Loa Loa (eye worm)	phosphatidylinositol 3	0.0239	0.0116	0.1596
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0293	0.0149	0.0431
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1199	0.072	0.9901
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0461	0.0256	0.0141
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1209	0.0726	1
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0682	0.0395	0.4569
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0546	0.0309	0.316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1197	0.0719	0.9877

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: CHEMBL1631364

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 1467415