TDR Targets

Basic information

Technical information

TDR Targets ID: 995092
Name: 3-(2-chlorophenyl)-6-[(3-methylphenoxy)methyl ]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MW: 356.829 | Formula: C17H13ClN4OS
H donors: 0 H acceptors: 3 LogP: 4.42 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(c1)OCc1sc2n(n1)c(nn2)c1ccccc1Cl
InChi: 1S/C17H13ClN4OS/c1-11-5-4-6-12(9-11)23-10-15-21-22-16(19-20-17(22)24-15)13-7-2-3-8-14(13)18/h2-9H,10H2,1H3
InChiKey: ZXXPGWWSJBREFS-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

ZINC02859667
AO-365/42612264

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
Loa Loa (eye worm)	TOPoisomerase family member	0.0724	0.2358	1
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Chlamydia trachomatis	DNA gyrase subunit B	0.1945	0.6526	0.6446
Brugia malayi	UDP galactose 4'-epimerase	0.0096	0.0216	0.0918
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0276	0.0828	0.0616
Echinococcus granulosus	heat shock protein	0.0125	0.0313	0.0451
Toxoplasma gondii	heat shock protein HSP90	0.0125	0.0313	0.0175
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0512	0.1637	0.2529
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0211	0.0609	0.0699
Trypanosoma brucei	heat shock protein, putative	0.0125	0.0313	0.0155
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0125	0.0313	0.0484
Mycobacterium tuberculosis	DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0254	0.0755	0.0541
Giardia lamblia	DNA topoisomerase III	0.0211	0.0609	0.2134
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0276	0.0828	0.0616
Echinococcus multilocularis	rho GTPase activating protein 20	0.0211	0.0609	0.2353
Echinococcus granulosus	neuropeptide receptor A26	0.0447	0.1412	0.5584
Echinococcus granulosus	heat shock protein 90	0.0125	0.0313	0.0451
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0211	0.0609	0.1833
Trichomonas vaginalis	receptor histidine kinase, putative	0.0099	0.0226	0.0046
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0211	0.0609	0.0699
Plasmodium vivax	heat shock protein 86, putative	0.0125	0.0313	0.0089
Brugia malayi	DNA topoisomerase III	0.0211	0.0609	0.2583
Giardia lamblia	UDP-glucose 4-epimerase	0.01	0.023	0.0019
Schistosoma mansoni	pyruvate dehydrogenase	0.0099	0.0226	0.096
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0512	0.1637	0.2516
Mycobacterium ulcerans	DNA topoisomerase I	0.0211	0.0609	0.0391
Trypanosoma brucei	heat shock protein, putative	0.0125	0.0313	0.0155
Toxoplasma gondii	heat shock protein 90, putative	0.0125	0.0313	0.0175
Loa Loa (eye worm)	DNA topoisomerase III	0.0211	0.0609	0.2583
Echinococcus multilocularis	heat shock protein	0.0125	0.0313	0.1059
Trypanosoma brucei	heat shock protein, putative	0.0125	0.0313	0.0155
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0052	0.0221
Trypanosoma brucei	heat shock protein, putative	0.0125	0.0313	0.0155
Plasmodium falciparum	DNA gyrase subunit A	0.0254	0.0755	0.0541
Trichomonas vaginalis	mismatch repair protein Mlh1C (mutL homolog)	0.0099	0.0226	0.0046
Echinococcus granulosus	DNA topoisomerase 3 beta 1	0.0211	0.0609	0.1833
Trichomonas vaginalis	heat shock protein, putative	0.0125	0.0313	0.0451
Treponema pallidum	hypothetical protein	0.0276	0.0828	0.0616
Entamoeba histolytica	DNA topoisomerase II, putative	0.0724	0.2358	1
Trypanosoma brucei	heat shock protein, putative	0.0125	0.0313	0.0155
Trypanosoma cruzi	heat shock protein 90, putative	0.0125	0.0313	0.0172
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0099	0.0226	0.068
Echinococcus granulosus	microtubule associated protein 2	0.0667	0.2163	0.9088
Trypanosoma brucei	heat shock protein 90, putative	0.0125	0.0313	0.0155
Giardia lamblia	DNA topoisomerase II	0.0625	0.2019	1
Trypanosoma brucei	DNA topoisomerase III, putative	0.0211	0.0609	0.0683
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0724	0.2358	1
Brugia malayi	Probable DNA topoisomerase II	0.0724	0.2358	1
Trypanosoma brucei	DNA topoisomerase IA, putative	0.0211	0.0609	0.0683
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0226	0.096
Trypanosoma brucei	DNA topoisomerase III, putative	0.0211	0.0609	0.0683
Leishmania major	DNA topoisomerase III, putative	0.0211	0.0609	0.0683
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.1715	0.5742	1
Plasmodium falciparum	DNA topoisomerase 3, putative	0.0211	0.0609	0.0391
Treponema pallidum	DNA gyrase, subunit A (gyrA)	0.0254	0.0755	0.0541
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Trypanosoma cruzi	heat shock protein 85, putative	0.0125	0.0313	0.0172
Echinococcus multilocularis	UDP glucose 4 epimerase	0.0096	0.0216	0.0637
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0211	0.0609	0.2583
Trichomonas vaginalis	sensory transduction histidine kinase, putative	0.0099	0.0226	0.0046
Schistosoma mansoni	UDP-glucose 4-epimerase	0.0096	0.0216	0.0918
Schistosoma mansoni	endoplasmin	0.0125	0.0313	0.1328
Toxoplasma gondii	DNA gyrase/topoisomerase IV, A subunit domain-containing protein	0.0254	0.0755	0.0975
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Schistosoma mansoni	lozenge	0.0054	0.0071	0.03
Schistosoma mansoni	endoplasmin	0.0125	0.0313	0.1328
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.1742	0.5832	1
Trypanosoma cruzi	Heat shock protein 83, putative	0.0125	0.0313	0.0172
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Plasmodium falciparum	endoplasmin, putative	0.0112	0.0271	0.0046
Trypanosoma brucei	heat shock protein, putative	0.0125	0.0313	0.0155
Loa Loa (eye worm)	endoplasmin	0.0125	0.0313	0.1328
Loa Loa (eye worm)	hypothetical protein	0.0486	0.1546	0.6559
Entamoeba histolytica	heat shock protein 90, putative	0.0125	0.0313	0.0451
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0276	0.0828	0.0616
Leishmania major	DNA topoisomerase 1A	0.0211	0.0609	0.0683
Echinococcus granulosus	DNA topoisomerase 3 alpha	0.0211	0.0609	0.1833
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0099	0.0226	0.068
Plasmodium vivax	DNA topoisomerase II, putative	0.0724	0.2358	0.2181
Plasmodium vivax	endoplasmin, putative	0.0125	0.0313	0.0089
Trypanosoma brucei	Heat shock protein 83, putative	0.0125	0.0313	0.0155
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0211	0.0609	0.0699
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0052	0.0221
Entamoeba histolytica	heat shock protein 90, putative	0.0125	0.0313	0.0451
Mycobacterium leprae	Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.1018	0.3362	1
Trichomonas vaginalis	two component sensor and regulator histidine kinase bacteria, putative	0.0099	0.0226	0.0046
Trypanosoma cruzi	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0099	0.0226	0.0018
Echinococcus granulosus	neuropeptide s receptor	0.0447	0.1412	0.5584
Mycobacterium leprae	Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) (	0.0211	0.0609	0.122
Mycobacterium leprae	PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC	0.0276	0.0828	0.192
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.0099	0.0226	0.0018
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0099	0.0226	0.0046
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0724	0.2358	1
Toxoplasma gondii	DNA topoisomerase family protein	0.0211	0.0609	0.071
Trichomonas vaginalis	receptor histidine kinase, putative	0.0099	0.0226	0.0046
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Loa Loa (eye worm)	heat shock protein 90	0.0125	0.0313	0.1328
Loa Loa (eye worm)	runx1	0.0054	0.0071	0.03
Wolbachia endosymbiont of Brugia malayi	topoisomerase IA, TopA	0.0211	0.0609	0.0391
Trichomonas vaginalis	endoplasmin, putative	0.0112	0.0271	0.0255
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0724	0.2358	1
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0276	0.0828	0.0616
Loa Loa (eye worm)	DNA topoisomerase III beta-1	0.0211	0.0609	0.2583
Trypanosoma cruzi	heat shock protein 85, putative	0.0125	0.0313	0.0172
Trypanosoma brucei	heat shock protein 90, putative	0.0125	0.0313	0.0155
Plasmodium falciparum	DNA topoisomerase 2	0.0724	0.2358	0.2181
Leishmania major	mitochondrial DNA topoisomerase II	0.1742	0.5832	1
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0724	0.2358	0.3876
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0099	0.0226	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1348	0.5717
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0512	0.1637	0.2516
Plasmodium vivax	DNA gyrase subunit B, putative	0.2963	1	1
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0211	0.0609	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0052	0.0221
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Treponema pallidum	DNA topoisomerase I (topA)	0.0211	0.0609	0.0391
Trypanosoma brucei	UDP-galactose 4-epimerase	0.01	0.023	0.0006
Mycobacterium ulcerans	DNA gyrase subunit A	0.0254	0.0755	0.0541
Echinococcus multilocularis	microtubule associated protein 2	0.0667	0.2163	0.9146
Trichomonas vaginalis	sensor histidine kinase, putative	0.0099	0.0226	0.0046
Leishmania major	DNA topoisomerase III, putative	0.0211	0.0609	0.0683
Mycobacterium ulcerans	DNA gyrase subunit B	0.2963	1	1
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0724	0.2358	1
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0211	0.0609	0.0699
Leishmania major	DNA topoisomerase ii	0.0512	0.1637	0.2516
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1348	0.5717
Trypanosoma brucei	DNA topoisomerase ii	0.1742	0.5832	1
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.2963	1	1
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0099	0.0226	0.0046
Chlamydia trachomatis	DNA topoisomerase I	0.0211	0.0609	0.0391
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.2963	1	1
Mycobacterium leprae	Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.0121	0.0301	0.0239
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Trypanosoma brucei	heat shock protein, putative	0.0125	0.0313	0.0155
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Trypanosoma cruzi	heat shock protein 85, putative	0.0125	0.0313	0.0172
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.1742	0.5832	1
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0724	0.2358	1
Brugia malayi	kinase, mitochondrial precursor	0.0099	0.0226	0.096
Plasmodium vivax	DNA topoisomerase 3, putative	0.0211	0.0609	0.0391
Echinococcus multilocularis	DNA topoisomerase 3 beta 1	0.0211	0.0609	0.2353
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Leishmania major	udp-glc 4-epimerase, putative	0.01	0.023	0.0006
Schistosoma mansoni	heat shock protein	0.0125	0.0313	0.1328
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0512	0.1637	0.2529
Echinococcus multilocularis	heat shock protein 90	0.0125	0.0313	0.1059
Schistosoma mansoni	microtubule-associated protein tau	0.0667	0.2163	0.9172
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0099	0.0226	0.0046
Brugia malayi	DNA topoisomerase III beta-1	0.0211	0.0609	0.2583
Echinococcus multilocularis	neuropeptide receptor A26	0.0447	0.1412	0.5865
Brugia malayi	GRF zinc finger family protein	0.0211	0.0609	0.2583
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0211	0.0609	0.2583
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0052	0.0221
Entamoeba histolytica	DNA topoisomerase III, putative	0.0211	0.0609	0.1833
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0724	0.2358	1
Onchocerca volvulus		0.0428	0.1348	0.4225
Giardia lamblia	DNA topoisomerase III	0.0211	0.0609	0.2134
Brugia malayi	hypothetical protein	0.0428	0.1348	0.5717
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0099	0.0226	0.0018
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0724	0.2358	1
Brugia malayi	heat shock protein 90	0.0125	0.0313	0.1328
Plasmodium vivax	DNA gyrase subunit A, putative	0.0254	0.0755	0.0541
Trypanosoma cruzi	heat shock protein 90, putative	0.0112	0.0268	0.0093
Plasmodium falciparum	DNA gyrase subunit B	0.2963	1	1
Loa Loa (eye worm)	hypothetical protein	0.0486	0.1546	0.6559
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0211	0.0609	0.071
Schistosoma mansoni	DNA topoisomerase II	0.0724	0.2358	1
Echinococcus multilocularis	neuropeptide s receptor	0.0447	0.1412	0.5865
Schistosoma mansoni	heat shock protein	0.0125	0.0313	0.1328
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.0724	0.2358	1
Brugia malayi	Endoplasmin precursor	0.0125	0.0313	0.1328
Plasmodium falciparum	heat shock protein 90	0.0125	0.0313	0.0089
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.2963	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0112	0.0271	0.0255
Loa Loa (eye worm)	UDP galactose 4'-epimerase	0.0096	0.0216	0.0918
Trypanosoma brucei	heat shock protein, putative	0.0125	0.0313	0.0155
Leishmania major	heat shock protein 83-1	0.0125	0.0313	0.0155
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0211	0.0609	0.1833
Entamoeba histolytica	DNA topoisomerase III, putative	0.0211	0.0609	0.1833
Chlamydia trachomatis	DNA gyrase subunit A	0.0254	0.0755	0.0541
Wolbachia endosymbiont of Brugia malayi	DNA gyrase subunit A	0.0254	0.0755	0.0541

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: CHEMBL497052

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 995092