TDR Targets

Basic information

Technical information

TDR Targets ID: 1608400
Name: dimethyl 1,2-dihydro-1,2,4-triazine-3,6-dicar boxylate
MW: 199.164 | Formula: C7H9N3O4
H donors: 2 H acceptors: 3 LogP: 0.44 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1[nH]nc([nH]c1)C(=O)OC
InChi: 1S/C7H9N3O4/c1-13-6(11)4-3-8-5(10-9-4)7(12)14-2/h3,9H,1-2H3,(H,8,10)
InChiKey: WQVYUZDIZICNIW-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

1,2-dihydro-1,2,4-triazine-3,6-dicarboxylic acid dimethyl ester
AIDS-138153
AIDS138153
Dimethyl 1,4-dihydro-1,2,4-triazine-3,6-dicarboxylate
NSC644314
NCI60_015035

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 brucei	target of rapamycin kinase 3, putative	0.0155	0.0255	0.0828
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0117	0.0177	0.5037
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0065	0.0073	0.1803
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0195	0.0335	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0514	0.0981	0.0985
Schistosoma mansoni	serine/threonine protein kinase	0.1484	0.2941	0.2941
Brugia malayi	MH1 domain containing protein	0.0035	0.0012	0.0012
Schistosoma mansoni	cellular tumor antigen P53	0.0108	0.0158	0.0158
Entamoeba histolytica	hypothetical protein	0.0153	0.0251	0.7373
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0085	0.0085
Brugia malayi	MH2 domain containing protein	0.0035	0.0012	0.0012
Schistosoma mansoni	smad	0.0035	0.0012	0.0012
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1466	0.2905	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0195	0.0335	0.1106
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.351	0.7036	0.7062
Schistosoma mansoni	smad1 5 8 and	0.0035	0.0012	0.0012
Brugia malayi	TAR-binding protein	0.0071	0.0085	0.0085
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.005	0.005
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1484	0.2941	0.2952
Loa Loa (eye worm)	Smad1	0.0035	0.0012	0.0012
Schistosoma mansoni	hypothetical protein	0.0153	0.0251	0.0251
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.0154	0.4316
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0037	0.0016	0.0016
Brugia malayi	MH2 domain containing protein	0.0035	0.0012	0.0012
Echinococcus granulosus	Vam6:Vps39 protein	0.1466	0.2905	0.2916
Brugia malayi	hypothetical protein	0.0153	0.0251	0.0251
Schistosoma mansoni	smad1 5 8 and	0.0035	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0016	0.0016
Loa Loa (eye worm)	STE/STE20/KHS protein kinase	0.1484	0.2941	0.2952
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0195	0.0335	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0035	0.0012	0.0012
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0155	0.0255	0.7477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0155	0.0255	0.7477
Echinococcus multilocularis	microtubule associated protein 2	0.3718	0.7457	1
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0037	0.0016	0.0021
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0065	0.0073	0.0199
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0153	0.0251	0.0252
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.0154	0.4327
Brugia malayi	Protein kinase domain containing protein	0.1484	0.2941	0.2941
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0155	0.0255	0.7477
Entamoeba histolytica	hypothetical protein	0.0153	0.0251	0.7373
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0166	0.0278	0.8197
Echinococcus multilocularis	GTPase activating Rap:RanGAP domain 3	0.1466	0.2905	0.3896
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0234	0.684
Trypanosoma brucei	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1466	0.2905	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0117	0.0177	0.5037
Schistosoma mansoni	transcription factor LCR-F1	0.0153	0.0251	0.0251
Echinococcus granulosus	GTPase activating Rap:RanGAP domain 3	0.1466	0.2905	0.2916
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0065	0.0073	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.0154	0.4327
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0085	0.0085
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0195	0.0335	1
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0024	0.0266
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.0154	0.4327
Echinococcus granulosus	serine protein kinase ATM	0.0037	0.0016	0.0016
Echinococcus granulosus	tumor protein p63	0.0735	0.1426	0.1431
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.4958	0.9964	1
Schistosoma mansoni	vam6/vps39 related	0.1466	0.2905	0.2905
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0041	0.0024	0.039
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0234	0.684
Schistosoma mansoni	hypothetical protein	0.1466	0.2905	0.2905
Brugia malayi	Temporarily assigned gene name protein 59	0.1466	0.2905	0.2905
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0115	0.0174	0.4963
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.4958	0.9964	1
Schistosoma mansoni	Smad4	0.0035	0.0012	0.0012
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0195	0.0335	0.1106
Schistosoma mansoni	hypothetical protein	0.0037	0.0016	0.0016
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1484	0.2941	0.3944
Echinococcus granulosus	protein kinase	0.351	0.7036	0.7062
Onchocerca volvulus		0.0108	0.0158	0.0546
Schistosoma mansoni	smad1 5 8 and	0.0035	0.0012	0.0012
Giardia lamblia	GTOR	0.0195	0.0335	0.5
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0081	0.0105	0.0309
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0035	0.0012	0.0016
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0065	0.0073	0.0199
Echinococcus multilocularis	serine protein kinase ATM	0.0037	0.0016	0.0021
Echinococcus multilocularis	tumor protein p63	0.0735	0.1426	0.1912
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0065	0.0073	0.0199
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0234	0.684
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0037	0.0016	0.0016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0047	0.0976
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1466	0.2905	0.2905
Schistosoma mansoni	protein kinase	0.1484	0.2941	0.2941
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0195	0.0335	0.1106
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0234	0.684
Trypanosoma cruzi	target of rapamycin kinase 3	0.0155	0.0255	0.0828
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0234	0.684
Brugia malayi	hypothetical protein	0.1466	0.2905	0.2905
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0016	0.0016
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0037	0.0016	0.0016
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0065	0.0073	0.0073
Brugia malayi	Smad1	0.0035	0.0012	0.0012
Echinococcus multilocularis	tar DNA binding protein	0.0071	0.0085	0.0114
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0195	0.0335	0.0335
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0065	0.0073	0.0074
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.005	0.005
Echinococcus granulosus	mothers against decapentaplegic 5	0.0035	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0024	0.0024
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0065	0.0073	0.0098
Brugia malayi	RNA recognition motif domain containing protein	0.0071	0.0085	0.0085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0155	0.0255	0.7477
Loa Loa (eye worm)	MH1 domain-containing protein	0.0035	0.0012	0.0012
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0127	0.0197	0.5673
Echinococcus granulosus	Smad4	0.0035	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.1466	0.2905	0.2916
Loa Loa (eye worm)	phosphatidylinositol 3	0.0195	0.0335	0.0337
Schistosoma mansoni	protein kinase	0.4976	1	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0021	0.0022
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0234	0.684
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.0154	0.4316
Loa Loa (eye worm)	MH2 domain-containing protein	0.0514	0.0981	0.0985
Schistosoma mansoni	microtubule-associated protein tau	0.3718	0.7457	0.7457
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.0154	0.4316
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0085	0.0085
Echinococcus granulosus	microtubule associated protein 2	0.3718	0.7457	0.7484
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0195	0.0335	0.0337
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0145	0.0234	1
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1484	0.2941	0.3944
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0115	0.0174	0.4963
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0195	0.0335	1
Onchocerca volvulus		0.1466	0.2905	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0085	0.0085
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1466	0.2905	0.2905
Loa Loa (eye worm)	hypothetical protein	0.1466	0.2905	0.2916
Brugia malayi	RNA binding protein	0.0071	0.0085	0.0085
Brugia malayi	MH2 domain containing protein	0.0514	0.0981	0.0981
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.1484	0.2941	0.2952
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0037	0.0016	0.0016
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0195	0.0335	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0234	0.684
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0153	0.0251	0.0337
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0037	0.0016	0.0016
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0195	0.0335	0.045
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0065	0.0073	0.0199
Loa Loa (eye worm)	phosphatidylinositol 3	0.0065	0.0073	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0054	0.005	0.005
Echinococcus granulosus	tar DNA binding protein	0.0071	0.0085	0.0085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0195	0.0335	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0155	0.0255	0.7477
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0035	0.0012	0.0016
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0071	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.1466	0.2905	0.2916
Schistosoma mansoni	protein kinase	0.351	0.7036	0.7036
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0158	0.0159
Schistosoma mansoni	serine/threonine protein kinase	0.1484	0.2941	0.2941
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1466	0.2905	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0085	0.0085
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0195	0.0335	0.1106
Loa Loa (eye worm)	MH2 domain-containing protein	0.0035	0.0012	0.0012
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0195	0.0335	0.0335
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0155	0.0255	0.6934
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1484	0.2941	0.2952
Loa Loa (eye worm)	TAR-binding protein	0.0071	0.0085	0.0085
Echinococcus multilocularis	smad	0.0035	0.0012	0.0016
Echinococcus granulosus	smad	0.0035	0.0012	0.0012
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0131	0.0206	0.594
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0117	0.0177	0.5037
Loa Loa (eye worm)	RNA binding protein	0.0071	0.0085	0.0085
Entamoeba histolytica	hypothetical protein	0.0153	0.0251	0.7373
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0092	0.0128	0.0387
Echinococcus multilocularis		0.351	0.7036	0.9435
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0065	0.0073	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0065	0.0073	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0105	0.0154	0.4327
Brugia malayi	MH1 domain containing protein	0.0035	0.0012	0.0012
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.005	0.005
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.1484	0.2941	0.3944
Schistosoma mansoni	rap gtpase-activating protein	0.1466	0.2905	0.2905
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0065	0.0073	0.1803
Echinococcus multilocularis	Smad4	0.0035	0.0012	0.0016
Entamoeba histolytica	hypothetical protein	0.0153	0.0251	0.7373
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0035	0.0012	0.0012
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0195	0.0335	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0065	0.0073	0.0073

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	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: CHEMBL1983748

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 1608400