TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 342.826 | Formula: C17H19ClN6
H donors: 1 H acceptors: 3 LogP: 2.03 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccccc1Cn1ncc(c1)CNC1CCc2n(C1)ncn2
InChi: 1S/C17H19ClN6/c18-16-4-2-1-3-14(16)10-23-9-13(8-21-23)7-19-15-5-6-17-20-12-22-24(17)11-15/h1-4,8-9,12,15,19H,5-7,10-11H2
InChiKey: RMQYXBGPYJAKGD-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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.4574	0.4574
Schistosoma mansoni	hypothetical protein	0.0103	1	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0067	0.596	0.5609
Plasmodium falciparum	adenosylhomocysteinase	0.0057	0.4886	1
Mycobacterium tuberculosis	Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase)	0.0057	0.4886	0.7184
Echinococcus multilocularis	adenosylhomocysteinase	0.0057	0.4886	0.4886
Brugia malayi	Adenosine kinase-like	0.0047	0.3654	0.6246
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0075	0.6801	1
Loa Loa (eye worm)	glutathione reductase	0.0029	0.1728	0.2953
Echinococcus granulosus	thioredoxin glutathione reductase	0.0029	0.1728	0.1728
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0057	0.4886	0.8352
Loa Loa (eye worm)	6-phosphofructokinase	0.0066	0.585	1
Schistosoma mansoni	6-phosphofructokinase	0.0066	0.585	0.585
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0067	0.596	0.8763
Loa Loa (eye worm)	6-phosphofructokinase	0.0066	0.585	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0075	0.6801	1
Schistosoma mansoni	adenosine kinase	0.0047	0.3654	0.3654
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0066	0.585	0.5034
Trichomonas vaginalis	phosphofructokinase, putative	0.0018	0.043	0.0735
Brugia malayi	6-phosphofructokinase	0.0066	0.585	1
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0066	0.585	1
Schistosoma mansoni	adenosylhomocysteinase	0.0036	0.2423	0.2423
Toxoplasma gondii	thioredoxin reductase	0.0029	0.1728	0.3536
Leishmania major	adenosine kinase, putative	0.0047	0.3654	0.6246
Trichomonas vaginalis	phosphofructokinase, putative	0.0018	0.043	0.0735
Brugia malayi	Thioredoxin reductase	0.0029	0.1728	0.2953
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0029	0.1728	0.254
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.0057	0.4886	0.8352
Toxoplasma gondii	phosphofructokinase PFKII	0.0018	0.043	0.0881
Echinococcus granulosus	6 phosphofructokinase	0.0066	0.585	0.585
Schistosoma mansoni	adenosylhomocysteinase	0.0036	0.2423	0.2423
Schistosoma mansoni	adenosylhomocysteinase	0.0036	0.2423	0.2423
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.4574	0.4574
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.4574	0.4574
Mycobacterium ulcerans	S-adenosyl-L-homocysteine hydrolase	0.0057	0.4886	0.8352
Plasmodium vivax	6-phosphofructokinase, putative	0.0018	0.043	0.0881
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0066	0.585	0.8602
Leishmania major	S-adenosylhomocysteine hydrolase	0.0057	0.4886	0.8352
Trichomonas vaginalis	phosphofructokinase, putative	0.0018	0.043	0.0735
Entamoeba histolytica	adenosylhomocysteinase, putative	0.0057	0.4886	0.8352
Entamoeba histolytica	phosphofructokinase, putative	0.0066	0.585	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0067	0.596	0.8763
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0075	0.6801	1
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0066	0.585	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0066	0.585	1
Loa Loa (eye worm)	phosphofructokinase	0.0066	0.585	1
Schistosoma mansoni	adenosylhomocysteinase	0.0036	0.2423	0.2423
Mycobacterium ulcerans	6-phosphofructokinase	0.0066	0.585	1
Toxoplasma gondii	adenosylhomocysteinase, putative	0.0057	0.4886	1
Plasmodium vivax	6-phosphofructokinase, putative	0.0018	0.043	0.0881
Plasmodium falciparum	thioredoxin reductase	0.0029	0.1728	0.3536
Echinococcus granulosus	adenosine kinase	0.0047	0.3654	0.3654
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.4574	0.4574
Leishmania major	ATP-dependent phosphofructokinase	0.0066	0.585	1
Schistosoma mansoni	hypothetical protein	0.0103	1	1
Mycobacterium tuberculosis	Probable reductase	0.0067	0.596	0.8763
Trypanosoma brucei	adenosine kinase, putative	0.0047	0.3654	0.6246
Echinococcus multilocularis	adenosine kinase	0.0047	0.3654	0.3654
Trypanosoma cruzi	adenosine kinase, putative	0.0047	0.3654	0.6246
Trichomonas vaginalis	phosphofructokinase, putative	0.0018	0.043	0.0735
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0057	0.4886	0.8352
Schistosoma mansoni	hypothetical protein	0.0031	0.1957	0.1957
Brugia malayi	6-phosphofructokinase	0.0066	0.585	1
Brugia malayi	phosphofructokinase	0.0066	0.585	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0067	0.596	0.8763
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0018	0.043	0.5
Trypanosoma brucei	trypanothione reductase	0.0029	0.1728	0.2953
Entamoeba histolytica	phosphofructokinase, putative	0.0066	0.585	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0075	0.6801	1
Toxoplasma gondii	S-Adenosyl homocysteine hydrolase	0.0057	0.4886	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0067	0.596	0.8763
Plasmodium vivax	thioredoxin reductase, putative	0.0029	0.1728	0.3536
Trypanosoma brucei	adenosine kinase, putative	0.0047	0.3654	0.6246
Plasmodium vivax	adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative	0.0057	0.4886	1
Toxoplasma gondii	kinase, pfkB family protein	0.0047	0.3654	0.7479
Loa Loa (eye worm)	hypothetical protein	0.0047	0.3654	0.6246
Loa Loa (eye worm)	thioredoxin reductase	0.0029	0.1728	0.2953
Plasmodium falciparum	glutathione reductase	0.0029	0.1728	0.3536
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.4574	0.4574
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0066	0.585	1
Echinococcus granulosus	adenosylhomocysteinase	0.0057	0.4886	0.4886
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0018	0.043	0.0881
Leishmania major	trypanothione reductase	0.0029	0.1728	0.2953
Trypanosoma cruzi	adenosine kinase, putative	0.0047	0.3654	0.6246
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.4574	0.7819
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.4574	0.4574
Trichomonas vaginalis	phosphofructokinase, putative	0.0066	0.585	1
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0018	0.043	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0067	0.596	0.8763
Brugia malayi	glutathione reductase	0.0029	0.1728	0.2953
Brugia malayi	Adenosylhomocysteinase	0.0057	0.4886	0.8352
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0018	0.043	0.5
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0018	0.0452	0.0773
Plasmodium vivax	glutathione reductase, putative	0.0029	0.1728	0.3536
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.4574	0.7819
Toxoplasma gondii	6-phosphofructokinase	0.0018	0.043	0.0881
Schistosoma mansoni	adenosylhomocysteinase	0.0057	0.4886	0.4886
Trichomonas vaginalis	phosphofructokinase, putative	0.0066	0.585	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0018	0.043	0.0735
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0014	0	0.5
Schistosoma mansoni	6-phosphofructokinase	0.0066	0.585	0.585
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0018	0.043	0.0881
Schistosoma mansoni	adenosine kinase	0.0047	0.3654	0.3654
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0029	0.1728	0.1728
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0018	0.043	0.0881
Echinococcus multilocularis	geminin	0.0103	1	1
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0018	0.043	0.0735
Trichomonas vaginalis	phosphofructokinase, putative	0.0066	0.585	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.4574	0.4574
Echinococcus multilocularis	6 phosphofructokinase	0.0066	0.585	0.585
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.0057	0.4886	0.8352
Trichomonas vaginalis	phosphofructokinase, putative	0.0018	0.043	0.0735
Onchocerca volvulus		0.0041	0.3058	0.5
Trypanosoma brucei	S-adenosylhomocysteine hydrolase, putative	0.0057	0.4886	0.8352
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0018	0.043	0.0735
Loa Loa (eye worm)	adenosylhomocysteinase	0.0057	0.4886	0.8352
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0018	0.043	0.0735
Entamoeba histolytica	phosphofructokinase, putative	0.0066	0.585	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0029	0.1728	0.2953

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: CHEMBL3493018

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2068482