TDR Targets

Basic information

Technical information

TDR Targets ID: 1688135
Name: 2-(6-pyrazin-2-yl-[1,2,4]triazolo[5,4-b][1,3, 4]thiadiazol-3-yl)quinoline
MW: 331.355 | Formula: C16H9N7S
H donors: 0 H acceptors: 6 LogP: 1.78 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: c1cnc(cn1)c1nn2c(s1)nnc2c1ccc2c(n1)cccc2
InChi: 1S/C16H9N7S/c1-2-4-11-10(3-1)5-6-12(19-11)14-20-21-16-23(14)22-15(24-16)13-9-17-7-8-18-13/h1-9H
InChiKey: KQJKZLUDTONJRT-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

2-[6-(2-pyrazinyl)-[1,2,4]triazolo[5,4-b][1,3,4]thiadiazol-3-yl]quinoline

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	dual specificity phosphatase 4	Starlite/ChEMBL	References
Homo sapiens	protein tyrosine phosphatase, receptor type, D	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	Get druggable targets OG5_128637	All targets in OG5_128637
Echinococcus granulosus	receptor type tyrosine protein phosphatase	Get druggable targets OG5_128637	All targets in OG5_128637
Onchocerca volvulus		Get druggable targets OG5_128637	All targets in OG5_128637
Leishmania donovani	tyrosine specific protein phosphatase, putative	Get druggable targets OG5_128637	All targets in OG5_128637
Leishmania braziliensis	tyrosine specific protein phosphatase, putative	Get druggable targets OG5_128637	All targets in OG5_128637
Schistosoma japonicum	ko:K06777 protein tyrosine phosphatase, receptor type, D, putative	Get druggable targets OG5_128637	All targets in OG5_128637
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	Get druggable targets OG5_128637	All targets in OG5_128637
Schistosoma japonicum	Tyrosine-protein phosphatase Lar precursor, putative	Get druggable targets OG5_128637	All targets in OG5_128637
Schistosoma japonicum	Receptor-type tyrosine-protein phosphatase F precursor, putative	Get druggable targets OG5_128637	All targets in OG5_128637
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	Get druggable targets OG5_128637	All targets in OG5_128637
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	Get druggable targets OG5_128637	All targets in OG5_128637
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	Get druggable targets OG5_128637	All targets in OG5_128637
Leishmania major	tyrosine specific protein phosphatase, putative	Get druggable targets OG5_128637	All targets in OG5_128637
Echinococcus granulosus	receptor type tyrosine protein phosphatase	Get druggable targets OG5_128637	All targets in OG5_128637
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	Get druggable targets OG5_128637	All targets in OG5_128637
Schistosoma japonicum	IPR003961,Fibronectin, type III;IPR008957,Fibronectin, type III-like fold,domain-containing	Get druggable targets OG5_128637	All targets in OG5_128637
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	Get druggable targets OG5_128637	All targets in OG5_128637
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	Get druggable targets OG5_128637	All targets in OG5_128637
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	Get druggable targets OG5_128637	All targets in OG5_128637
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	Get druggable targets OG5_128637	All targets in OG5_128637
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	Get druggable targets OG5_128637	All targets in OG5_128637
Schistosoma japonicum	Receptor-type tyrosine-protein phosphatase S precursor, putative	Get druggable targets OG5_128637	All targets in OG5_128637
Schistosoma japonicum	Receptor-type tyrosine-protein phosphatase delta precursor, putative	Get druggable targets OG5_128637	All targets in OG5_128637
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128637	All targets in OG5_128637
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	Get druggable targets OG5_128637	All targets in OG5_128637
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128637	All targets in OG5_128637
Leishmania infantum	tyrosine specific protein phosphatase, putative	Get druggable targets OG5_128637	All targets in OG5_128637
Schistosoma japonicum	Receptor-type tyrosine-protein phosphatase S precursor, putative	Get druggable targets OG5_128637	All targets in OG5_128637
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	Get druggable targets OG5_128637	All targets in OG5_128637
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	Get druggable targets OG5_128637	All targets in OG5_128637
Echinococcus multilocularis	sortilin receptor	Get druggable targets OG5_128637	All targets in OG5_128637
Leishmania mexicana	tyrosine specific protein phosphatase, putative	Get druggable targets OG5_128637	All targets in OG5_128637
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128637	All targets in OG5_128637
Loa Loa (eye worm)	fibronectin type III domain-containing protein	Get druggable targets OG5_128637	All targets in OG5_128637
Schistosoma japonicum	ko:K05695 protein tyrosine phosphatase, receptor type, F, putative	Get druggable targets OG5_128637	All targets in OG5_128637

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	dual specificity protein phosphatase	dual specificity phosphatase 4	394 aa	327 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0025	0.7428	0.7428
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0075	0.0101
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0032	1	1
Echinococcus granulosus	roundabout 2	0.001	0.1442	0.1442
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0008	0.056	0.056
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0007	0.0312	0.0421
Brugia malayi	Immunoglobulin I-set domain containing protein	0.001	0.1442	0.238
Schistosoma mansoni	tyrosine kinase	0.0007	0.0075	0.0075
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0032	1	1
Schistosoma mansoni	cell adhesion molecule	0.0007	0.0312	0.0312
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.0007	0.0312	0.0312
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0032	1	1
Schistosoma mansoni	septate junction protein	0.0007	0.0075	0.0075
Schistosoma mansoni	septate junction protein	0.0007	0.0075	0.0075
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0008	0.056	0.056
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0025	0.7428	0.7428
Schistosoma mansoni	neuroglian	0.001	0.1442	0.1442
Brugia malayi	Prion-like-	0.0007	0.0075	0.0124
Onchocerca volvulus		0.0022	0.6061	1
Echinococcus granulosus	hemicentin 1	0.0007	0.0075	0.0075
Leishmania major	tyrosine specific protein phosphatase, putative	0.0022	0.6061	0.5
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0075	0.0101
Brugia malayi	Peroxidasin	0.0007	0.0075	0.0124
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0007	0.0075	0.0124
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.001	0.1442	0.1442
Echinococcus granulosus	neuroglian	0.001	0.1442	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0075	0.0101
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0025	0.7428	1
Brugia malayi	Protein-tyrosine phosphatase	0.0008	0.056	0.0924
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0075	0.0101
Echinococcus granulosus	contactin	0.001	0.1442	0.1442
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0008	0.056	0.056
Echinococcus multilocularis	peroxidasin	0.0007	0.0075	0.0075
Echinococcus granulosus	roundabout 2	0.001	0.1442	0.1442
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0022	0.6061	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0007	0.0312	0.0516
Onchocerca volvulus	Basement membrane proteoglycan homolog	0.0007	0.0075	0.0124
Echinococcus multilocularis	neurotracting:lsamp:neurotrimin:obcam	0.0007	0.0075	0.0075
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0022	0.6061	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.5738	0.7725
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.001	0.1442	0.1942
Brugia malayi	Immunoglobulin I-set domain containing protein	0.001	0.1442	0.238
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0007	0.0075	0.0124
Schistosoma mansoni	cell adhesion molecule	0.0007	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0075	0.0101
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0025	0.7428	0.7428
Schistosoma mansoni	protein tyrosine phosphatase	0.0008	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0075	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0075	0.0101
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0028	0.8558	0.8558
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0022	0.6061	0.6061
Echinococcus multilocularis	roundabout 2	0.001	0.1442	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0075	0.0101
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0022	0.6061	0.6061
Echinococcus multilocularis	hemicentin 1	0.0007	0.0075	0.0075
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0007	0.0075	0.0124
Echinococcus multilocularis	neuroglian	0.001	0.1442	0.1442
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0032	1	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0007	0.0075	0.0124
Echinococcus multilocularis	sortilin receptor	0.0017	0.4371	0.4371
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0007	0.0075	0.0101
Echinococcus multilocularis	roundabout 2	0.001	0.1442	0.1442
Schistosoma mansoni	nephrin	0.001	0.1442	0.1442
Echinococcus granulosus	peroxidasin	0.0007	0.0075	0.0075
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0008	0.056	0.056
Schistosoma mansoni	roundabout	0.0007	0.0075	0.0075
Schistosoma mansoni	cell adhesion molecule	0.001	0.1442	0.1442
Echinococcus granulosus	roundabout 2	0.001	0.1442	0.1442
Echinococcus multilocularis	lachesin	0.0007	0.0075	0.0075
Schistosoma mansoni	dual specificity protein phosphatase	0.0008	0.0501	0.0501
Echinococcus multilocularis	roundabout 2	0.001	0.1442	0.1442
Echinococcus granulosus	lachesin	0.0007	0.0075	0.0075
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0022	0.6061	0.6061
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0007	0.0075	0.0124
Echinococcus multilocularis	tyrosine protein kinase otk	0.0007	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.001	0.1442	0.1942
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0008	0.056	0.056
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0022	0.6061	0.5
Echinococcus granulosus	tyrosine protein kinase otk	0.0007	0.0075	0.0075
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0025	0.7428	0.7428
Schistosoma mansoni	neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule	0.0007	0.0075	0.0075
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.0007	0.0312	0.0312
Schistosoma mansoni	titin	0.0007	0.0075	0.0075
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0007	0.0075	0.0124
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0007	0.0075	0.0101
Loa Loa (eye worm)	hypothetical protein	0.002	0.5501	0.7405
Echinococcus multilocularis	hemicentin 1	0.0007	0.0075	0.0075
Schistosoma mansoni	cell adhesion molecule	0.001	0.1442	0.1442
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.001	0.1442	0.1942
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0075	0.0101
Brugia malayi	Immunoglobulin I-set domain containing protein	0.001	0.1442	0.238

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.1 uM	Inhibition of His-tagged PTPsigma catalytic domain amino acid 1369 to 1948 using DiFMUP as substrate after 20 mins by spectrofluorometric analysis	ChEMBL.	22989533
IC50 (binding)	= 2.29 uM	Inhibition of MKP2	ChEMBL.	22989533
IC50 (binding)	= 21 uM	Inhibition of PRL1	ChEMBL.	22989533
IC50 (binding)	> 100 uM	Inhibition of PRL3	ChEMBL.	22989533
Inhibition (binding)	> 50 %	Inhibition of His-tagged PTPsigma catalytic domain amino acid 1369 to 1948 using DiFMUP as substrate at 2 uM after 20 mins by spectrofluorometric analysis	ChEMBL.	22989533

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: CHEMBL2146956

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1688135