TDR Targets

Basic information

Technical information

TDR Targets ID: 1414232
Name: N-(3,4-dimethoxyphenyl)-6-(4-oxo-1,2,3-benzot riazin-3-yl)hexanamide
MW: 396.44 | Formula: C21H24N4O4
H donors: 1 H acceptors: 2 LogP: 3.39 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)NC(=O)CCCCCn1nnc2c(c1=O)cccc2
InChi: 1S/C21H24N4O4/c1-28-18-12-11-15(14-19(18)29-2)22-20(26)10-4-3-7-13-25-21(27)16-8-5-6-9-17(16)23-24-25/h5-6,8-9,11-12,14H,3-4,7,10,13H2,1-2H3,(H,22,26)
InChiKey: WNXZMMQLXKCARU-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

N-(3,4-dimethoxyphenyl)-6-(4-keto-1,2,3-benzotriazin-3-yl)hexanamide
ZINC05272253

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
Schistosoma mansoni	organic anion transporter	0.0056	0.2763	0.2061
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0038	0.1625	0.1548
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.017	1	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.2763	0.2763
Brugia malayi	intermediate filament protein	0.0027	0.0884	0.0801
Echinococcus multilocularis	lamin dm0	0.0027	0.0884	0.0884
Onchocerca volvulus		0.0056	0.2763	1
Loa Loa (eye worm)	dihydrofolate reductase	0.017	1	1
Echinococcus multilocularis	expressed protein	0.0038	0.1625	0.1625
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0038	0.1625	0.1548
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0298	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0678	0.0678
Loa Loa (eye worm)	hypothetical protein	0.0056	0.2763	0.2763
Echinococcus granulosus	lamin dm0	0.0027	0.0884	0.0884
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0678	0.0592
Onchocerca volvulus		0.0038	0.1625	0.4541
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0678	0.0391
Echinococcus multilocularis	organic anion transporting polypeptide 30B	0.0056	0.2763	0.2763
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0678	0.0452
Schistosoma mansoni	organic anion transporter	0.0056	0.2763	0.2061
Leishmania major	C-1-tetrahydrofolate synthase, cytoplasmic, putative	0.0031	0.1152	0.18
Echinococcus multilocularis	follistatin	0.0038	0.1625	0.1625
Chlamydia trachomatis	bifunctional methylenetetrahydrofolate dehydrogenase/methenyltetrahydrofolate cyclohydrolase	0.0031	0.1152	0.0881
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0678	0.0592
Loa Loa (eye worm)	agrin synaptic family protein	0.0038	0.1625	0.1625
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0065	0.3314	1
Echinococcus multilocularis	methylenetetrahydrofolate dehydrogenase	0.0022	0.0546	0.0546
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0065	0.3314	1
Onchocerca volvulus		0.0056	0.2763	1
Onchocerca volvulus	Putative organic anion transporter	0.0056	0.2763	1
Echinococcus granulosus	Solute carrier organic anion transporter family	0.0056	0.2763	0.2763
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0678	0.0678
Echinococcus multilocularis	geminin	0.0169	0.9914	0.9914
Brugia malayi	prostaglandin transporter	0.0056	0.2763	0.2696
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1625	0.1625
Onchocerca volvulus		0.0027	0.0884	0.0991
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0678	0.0391
Echinococcus multilocularis	dihydrofolate reductase	0.017	1	1
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0065	0.3314	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0884	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0056	0.2763	0.2763
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0678	0.0391
Onchocerca volvulus		0.0027	0.0884	0.0991
Brugia malayi	sodium-independent organic anion transporter family protein	0.0056	0.2763	0.2696
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0884	0.0884
Onchocerca volvulus	Putative organic anion transporter	0.0056	0.2763	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0678	0.0592
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0038	0.1625	0.1548
Loa Loa (eye worm)	sodium-independent organic anion transporter	0.0056	0.2763	0.2763
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0298	0.0298
Trypanosoma cruzi	MFS transporter, putative	0.0056	0.2763	0.8127
Chlamydia trachomatis	dihydrofolate reductase	0.017	1	1
Plasmodium vivax	bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, putative	0.0019	0.0369	0.0236
Echinococcus granulosus	dihydrofolate reductase	0.017	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0678	0.0678
Echinococcus granulosus	lamin	0.0027	0.0884	0.0884
Echinococcus multilocularis	lamin	0.0027	0.0884	0.0884
Plasmodium falciparum	bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, putative	0.0019	0.0369	0.0236
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.017	1	1
Loa Loa (eye worm)	kazal-type serine protease inhibitor domain-containing protein	0.0038	0.1625	0.1625
Loa Loa (eye worm)	hypothetical protein	0.0056	0.2763	0.2763
Brugia malayi	SPARC precursor	0.0038	0.1625	0.1548
Mycobacterium ulcerans	bifunctional 5,10-methylene-tetrahydrofolate dehydrogenase/5,10-methylene-tetrahydrofolate cyclohydrolase	0.0031	0.1152	0.0881
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0678	0.0391
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0038	0.1625	0.1548
Onchocerca volvulus	Putative organic anion transporter	0.0056	0.2763	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0853	0.0853
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0065	0.3314	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0678	0.0391
Echinococcus granulosus	intermediate filament protein	0.0027	0.0884	0.0884
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0298	0.0298
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0678	0.0391
Onchocerca volvulus		0.0056	0.2763	1
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0038	0.1625	0.4263
Treponema pallidum	methylenetetrahydrofolate dehydrogenase (folD)	0.0031	0.1152	0.5
Echinococcus multilocularis	musashi	0.0027	0.0884	0.0884
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0298	0.0298
Brugia malayi	hypothetical protein	0.0056	0.2763	0.2696
Onchocerca volvulus		0.0056	0.2763	1
Schistosoma mansoni	dihydrofolate reductase	0.017	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0298	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1625	0.1625
Brugia malayi	hypothetical protein	0.0056	0.2763	0.2696
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0678	0.5
Echinococcus granulosus	methylenetetrahydrofolate dehydrogenase	0.0022	0.0546	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1625	0.1625
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0678	0.0452
Schistosoma mansoni	hypothetical protein	0.0169	0.9914	0.9905
Echinococcus granulosus	organic anion transporting polypeptide 30B	0.0056	0.2763	0.2763
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0884	0.0884
Brugia malayi	secreted modular calcium-binding protein 1	0.0038	0.1625	0.1548
Echinococcus granulosus	agrin	0.0038	0.1625	0.1625
Toxoplasma gondii	transporter, major facilitator family protein	0.0056	0.2763	0.8127
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0091	0.0091
Echinococcus multilocularis	agrin	0.0038	0.1625	0.1625
Echinococcus granulosus	follistatin	0.0038	0.1625	0.1625
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0678	0.5
Echinococcus multilocularis	Solute carrier organic anion transporter family	0.0056	0.2763	0.2763
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0884	0.0884
Loa Loa (eye worm)	hypothetical protein	0.0056	0.2763	0.2763
Schistosoma mansoni	hypothetical protein	0.0169	0.9914	0.9905
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0678	0.5
Toxoplasma gondii	protease inhibitor PI2	0.0038	0.1625	0.4263
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0038	0.1625	0.4263
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0038	0.1625	0.4263
Brugia malayi	sodium-independent organic anion transporter family protein	0.0056	0.2763	0.2696
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0065	0.3314	1
Echinococcus granulosus	geminin	0.0169	0.9914	0.9914
Brugia malayi	sodium-independent organic anion transporter family protein	0.0056	0.2763	0.2696
Brugia malayi	Dihydrofolate reductase	0.017	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1625	0.1625
Trypanosoma cruzi	C-1-tetrahydrofolate synthase, cytoplasmic, putative	0.0031	0.1152	0.2659
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0065	0.3314	1
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.017	1	1
Schistosoma mansoni	formate-tetrahydrofolate ligase	0.0031	0.1152	0.0294
Schistosoma mansoni	agrin	0.0038	0.1625	0.0812
Schistosoma mansoni	follistatin	0.0038	0.1625	0.0812
Onchocerca volvulus		0.0056	0.2763	1
Wolbachia endosymbiont of Brugia malayi	bifunctional 5,10-methylene-tetrahydrofolate dehydrogenase/5,10-methylene-tetrahydrofolate cyclohydrolase	0.0031	0.1152	0.5
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0678	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0056	0.2763	0.2763
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0298	0.0298
Trypanosoma cruzi	C-1-tetrahydrofolate synthase, cytoplasmic, putative	0.0031	0.1152	0.2659
Loa Loa (eye worm)	hypothetical protein	0.0056	0.2763	0.2763
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0678	0.0391
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0038	0.1625	0.4263

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (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: CHEMBL1547540

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1414232