TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 306.748 | Formula: C14H15ClN4O2
H donors: 2 H acceptors: 2 LogP: 1.43 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CCC1C(=NNC1=O)C)NN=Cc1ccccc1Cl
InChi: 1S/C14H15ClN4O2/c1-9-11(14(21)19-17-9)6-7-13(20)18-16-8-10-4-2-3-5-12(10)15/h2-5,8,11H,6-7H2,1H3,(H,18,20)(H,19,21)/b16-8-
InChiKey: UFOHUCOSKDUOLE-PXNMLYILSA-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	peptidyl-prolyl cis-trans isomerase	0.0035	0.0161	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0739	0.4935
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0195	0.0233
Entamoeba histolytica	hypothetical protein	0.0317	0.2738	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0052	0.0316	0.2362
Schistosoma mansoni	transcription factor LCR-F1	0.0317	0.2738	1
Trypanosoma brucei	trypanothione reductase	0.0051	0.0306	0.1137
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0051	0.0306	0.0306
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0316	0.1156
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0039	0.0195	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.0176	0.1313
Toxoplasma gondii	thioredoxin reductase	0.0051	0.0306	0.4134
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0044	0.0239	0.0888
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0324	0.1349
Mycobacterium tuberculosis	Probable dehydrogenase	0.0117	0.0905	0.6754
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0316	0.1279
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.0176	0.1313
Schistosoma mansoni	hypothetical protein	0.0036	0.0171	0.0623
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0316	0.1156
Brugia malayi	glutathione reductase	0.0051	0.0306	0.1116
Mycobacterium ulcerans	hypothetical protein	0.0052	0.0316	0.2362
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0117	0.0905	0.6754
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0195	0.0233
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0035	0.0161	0.0598
Brugia malayi	hypothetical protein	0.0317	0.2738	1
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0018	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0316	0.1279
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0035	0.0161	0.0598
Plasmodium falciparum	acyl-CoA synthetase	0.0039	0.0195	0.6395
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0316	0.2362
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0117	0.0905	0.6754
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0324	0.1185
Schistosoma mansoni	rotamase	0.0036	0.0168	0.0615
Echinococcus granulosus	expressed protein	0.0036	0.0168	0.0168
Trypanosoma cruzi	trypanothione reductase, putative	0.0051	0.0306	0.1137
Echinococcus multilocularis	expressed protein	0.0036	0.0168	0.0168
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0148	0.1187	0.4415
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0044	0.0239	0.0888
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0171	0.0018
Treponema pallidum	NADH oxidase	0.0018	0	0.5
Echinococcus multilocularis	tumor protein p63	0.1113	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0316	0.1279
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0739	0.4935
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1325	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0052	0.0316	0.0604
Plasmodium falciparum	glutathione reductase	0.0051	0.0306	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0018	0	0.5
Entamoeba histolytica	acyl-coA synthetase, putative	0.0052	0.0316	0.0604
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0324	0.1349
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0171	0.0623
Trichomonas vaginalis	rotamase, putative	0.0035	0.0161	0.9538
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0739	0.4935
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0195	0.0233
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0312	0.2689	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0052	0.0316	0.2362
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0317	0.2738	0.2738
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0052	0.0316	0.2362
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0052	0.0316	0.2362
Entamoeba histolytica	hypothetical protein	0.0317	0.2738	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0039	0.0195	0.1459
Leishmania major	trypanothione reductase	0.0051	0.0306	0.1137
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.0316	0.1177
Plasmodium vivax	acyl-CoA synthetase, putative	0.0039	0.0195	0.6395
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.0316	0.1177
Mycobacterium tuberculosis	Probable oxidoreductase	0.013	0.1024	0.7643
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.013	0.1024	0.7643
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0117	0.0905	0.8317
Leishmania major	mitochondrial DNA polymerase beta	0.0312	0.2689	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0148	0.1187	0.4415
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0168	1
Entamoeba histolytica	hypothetical protein	0.0317	0.2738	1
Brugia malayi	Thioredoxin reductase	0.0051	0.0306	0.1116
Onchocerca volvulus		0.0163	0.1325	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0117	0.0905	0.6754
Echinococcus granulosus	thioredoxin glutathione reductase	0.0051	0.0306	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0195	0.0233
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0316	0.2362
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.0176	0.1313
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0195	0.0233
Toxoplasma gondii	peptidylprolyl isomerase	0.0035	0.0161	0.2173
Loa Loa (eye worm)	thioredoxin reductase	0.0051	0.0306	0.1186
Mycobacterium ulcerans	hypothetical protein	0.0164	0.134	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.0176	0.1313
Toxoplasma gondii	hypothetical protein	0.005	0.0298	0.4027
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0052	0.0316	0.2362
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0239	0.0888
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0052	0.0316	0.0604
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0052	0.0316	0.2362
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0018	0	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.0316	0.1177
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0117	0.0905	0.6754
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0035	0.0161	0.0598
Schistosoma mansoni	cellular tumor antigen P53	0.0163	0.1325	0.4841
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0099	0.0739	0.4935
Entamoeba histolytica	hypothetical protein	0.0317	0.2738	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0053	0.0327	0.1214
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0312	0.2689	1
Mycobacterium tuberculosis	Probable reductase	0.0117	0.0905	0.6754
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.013	0.1024	0.7643
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.013	0.1024	1
Plasmodium vivax	thioredoxin reductase, putative	0.0051	0.0306	1
Trichomonas vaginalis	rotamase, putative	0.0036	0.0168	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0051	0.0306	0.2281
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0039	0.0195	0.1459
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0316	0.2362
Toxoplasma gondii	hypothetical protein	0.0099	0.0739	1
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0316	0.1156
Plasmodium falciparum	thioredoxin reductase	0.0051	0.0306	1
Plasmodium vivax	glutathione reductase, putative	0.0051	0.0306	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0317	0.2738	0.2738
Schistosoma mansoni	hypothetical protein	0.0317	0.2738	1
Loa Loa (eye worm)	glutathione reductase	0.0051	0.0306	0.1186
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0324	0.1185
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0036	0.0168	0.0615
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0148	0.1187	0.4415
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0239	0.0888
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0164	0.134	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0312	0.2689	1

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 761947