TDR Targets

Basic information

Technical information

TDR Targets ID: 1543262
Name: 6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo [3,4-b][1,3,4]thiadiazine
MW: 278.761 | Formula: C12H11ClN4S
H donors: 0 H acceptors: 2 LogP: 3.38 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CCc1nnc2n1N=C(CS2)c1ccc(cc1)Cl
InChi: 1S/C12H11ClN4S/c1-2-11-14-15-12-17(11)16-10(7-18-12)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3
InChiKey: FVLFZPYCQSCXQE-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

EU-0045764
ZINC00080938
STOCK1S-87632

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.0536	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1721	0.1721
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0158	0.0158
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.1215	0.4445
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0041	0.0665	0.2131
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0848	0.0848
Leishmania major	hypothetical protein, conserved	0.0024	0.0162	0.0016
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0027	0.0232	0.0312
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.1215	0.444
Brugia malayi	prolyl oligopeptidase family protein	0.0104	0.2536	0.3973
Echinococcus granulosus	survival motor neuron protein 1	0.0232	0.6384	0.6384
Entamoeba histolytica	hypothetical protein	0.0027	0.0232	0.1961
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0093	0.2211	1
Plasmodium falciparum	importin beta, putative	0.0033	0.042	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1233	0.1931
Loa Loa (eye worm)	hypothetical protein	0.0136	0.3513	0.3513
Brugia malayi	TAR-binding protein	0.0076	0.1721	0.2695
Toxoplasma gondii	prolyl endopeptidase	0.0104	0.2536	1
Brugia malayi	Inositol-1	0.0037	0.0536	0.084
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0162	0.0016
Echinococcus granulosus	importin subunit beta 1	0.0033	0.042	0.042
Trypanosoma brucei	prolyl endopeptidase	0.0104	0.2536	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.042	0.042
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0536	0.159
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1233	0.1233
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.1215	0.4445
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0536	0.0536
Mycobacterium tuberculosis	Probable peptidase	0.0041	0.0665	0.1366
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0041	0.0665	1
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0536	0.0536
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1721	0.1721
Brugia malayi	RNA, U transporter 1	0.0094	0.2245	0.3517
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.042	0.1099
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1721	0.1721
Schistosoma mansoni	hypothetical protein	0.0353	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0162	0.0016
Loa Loa (eye worm)	hypothetical protein	0.006	0.1233	0.1233
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0536	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.042	0.1099
Echinococcus granulosus	tar DNA binding protein	0.0076	0.1721	0.1721
Brugia malayi	hypothetical protein	0.0232	0.6384	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1215	1
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0536	0.0536
Loa Loa (eye worm)	RNA binding protein	0.0076	0.1721	0.1721
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0041	0.0665	0.2131
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0232	0.1961
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0024	0.0158	0.0158
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0232	0.1961
Onchocerca volvulus	Huntingtin homolog	0.0136	0.3513	1
Echinococcus granulosus	prolyl endopeptidase	0.0104	0.2536	0.2536
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1233	0.1931
Schistosoma mansoni	ran	0.0024	0.0158	0.0158
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0162	0.0143
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0104	0.2536	0.2536
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.1721	0.1721
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0353	1	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0848	0.1328
Loa Loa (eye worm)	hypothetical protein	0.0136	0.3513	0.3513
Loa Loa (eye worm)	hypothetical protein	0.0232	0.6384	0.6384
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0041	0.0665	0.1894
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0536	0.159
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0162	0.0143
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0536	1
Trichomonas vaginalis	importin beta-1, putative	0.0027	0.0232	0.1961
Brugia malayi	Importin beta-1 subunit	0.0033	0.042	0.0657
Brugia malayi	hypothetical protein	0.0136	0.3513	0.5503
Echinococcus multilocularis	importin subunit beta 1	0.0033	0.042	0.042
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.1721	0.2695
Leishmania major	oligopeptidase b	0.0041	0.0665	0.2131
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0662	0.1037
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0024	0.0158	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1721	0.1721
Loa Loa (eye worm)	inositol-1	0.0037	0.0536	0.0536
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.1721	0.1721
Loa Loa (eye worm)	hypothetical protein	0.0104	0.2536	0.2536
Plasmodium vivax	importin-beta 2, putative	0.0033	0.042	1
Leishmania major	importin beta-1 subunit, putative	0.0027	0.0232	0.0312
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1215	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0536	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0033	0.042	0.1099
Schistosoma mansoni	hypothetical protein	0.0041	0.0662	0.0662
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0536	1
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0158	0.0158
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0024	0.0158	0.0248
Brugia malayi	RNA binding protein	0.0076	0.1721	0.2695
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0162	0.0016
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0536	0.159
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0041	0.0665	0.2131
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.1721	0.1721
Echinococcus multilocularis	snurportin 1	0.0353	1	1
Brugia malayi	hypothetical protein	0.0024	0.0162	0.0254
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0536	0.0536
Schistosoma mansoni	hypothetical protein	0.0047	0.0848	0.0848
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0041	0.0665	0.1366
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.1215	0.1215
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.1215	0.1215
Echinococcus multilocularis	prolyl endopeptidase	0.0104	0.2536	0.2536
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0536	0.159
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1721	0.1721
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0104	0.2536	0.6335
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0162	0.0016
Trypanosoma cruzi	oligopeptidase b	0.0041	0.0665	0.2131
Plasmodium vivax	ataxin-2 like protein, putative	0.0024	0.0162	0.0143
Onchocerca volvulus	Huntingtin homolog	0.0136	0.3513	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.1215	0.1215
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0041	0.0665	0.2131
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0104	0.2536	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0162	0.0162
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0104	0.2536	0.2536
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.1215	0.1215
Trypanosoma brucei	oligopeptidase b	0.0041	0.0665	0.2131
Trypanosoma cruzi	prolyl endopeptidase	0.0104	0.2536	1
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0041	0.0665	0.2131
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0662	0.0662
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1215	1
Schistosoma mansoni	importin beta-1	0.0033	0.042	0.042
Trypanosoma cruzi	oligopeptidase b	0.0041	0.0665	0.2131
Schistosoma mansoni	ran	0.0024	0.0158	0.0158
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0536	0.159
Echinococcus multilocularis	survival motor neuron protein 1	0.0232	0.6384	0.6384

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.9185 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference

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: CHEMBL1732593

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 1543262