TDR Targets

Basic information

Technical information

TDR Targets ID: 1631350
Name: N2-methyl-N6-[(6-nitro-1,3-benzodioxol-5-yl)m ethylideneamino]-N4-phenyl-1,3,5-triazine-2,4 ,6-triamine
MW: 408.371 | Formula: C18H16N8O4
H donors: 3 H acceptors: 5 LogP: 3.76 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CNc1nc(N/N=C/c2cc3OCOc3cc2[N+](=O)[O-])nc(n1)Nc1ccccc1
InChi: 1S/C18H16N8O4/c1-19-16-22-17(21-12-5-3-2-4-6-12)24-18(23-16)25-20-9-11-7-14-15(30-10-29-14)8-13(11)26(27)28/h2-9H,10H2,1H3,(H3,19,21,22,23,24,25)/b20-9+
InChiKey: JOEYRLMLMNWHKE-AWQFTUOYSA-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

N4-methyl-N6-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N2-phenyl-1,3,5-triazine-2,4,6-triamine
N2-methyl-N6-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-N4-phenyl-1,3,5-triazine-2,4,6-triamine
N4-methyl-N6-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-N2-phenyl-1,3,5-triazine-2,4,6-triamine
[4-methylamino-6-[N'-[(6-nitro-1,3-benzodioxol-5-yl)methylene]hydrazino]-s-triazin-2-yl]-phenyl-amine
[4-methylamino-6-[(N'E)-N'-[(6-nitro-1,3-benzodioxol-5-yl)methylene]hydrazino]-s-triazin-2-yl]-phenyl-amine
A1555/0067741

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0135	0.0191
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.013	1
Schistosoma mansoni	serine/threonine protein kinase	0.0162	0.2215	0.2215
Mycobacterium ulcerans	hypothetical protein	0.0023	0.013	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0271	0.0382
Giardia lamblia	GTOR	0.0044	0.0441	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0041	0.0058
Schistosoma mansoni	serine/threonine protein kinase	0.0162	0.2215	0.2215
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.013	1
Brugia malayi	Kinase associated domain 1 family protein	0.0161	0.2197	0.3098
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.013	0.2955
Loa Loa (eye worm)	hypothetical protein	0.0015	0.001	0.0015
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0174	0.0245
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0305	0.043
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0041	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.001	0.001
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0044	0.0441	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0041	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0305	0.043
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.013	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0136	0.0191
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0513	0.0724
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0041	0.0058
Echinococcus granulosus	serine:threonine protein kinase MARK2	0.0162	0.2215	0.2215
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0041	0.0058
Schistosoma mansoni	hypothetical protein	0.0015	0.001	0.001
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.001	0.001
Echinococcus granulosus	serine:threonine protein kinase MARK2	0.0162	0.2215	0.2215
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0044	0.0441	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.013	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0041	0.0058
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.013	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0441	0.0622
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.013	0.0184
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0018	0.0053	0.1204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0174	0.0245
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0305	0.043
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0344	0.0485
Echinococcus multilocularis	serine:threonine protein kinase MARK2	0.0162	0.2215	0.2215
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.013	0.2955
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.013	1
Trichomonas vaginalis	CAMK family protein kinase	0.0325	0.4671	0.6588
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0305	0.043
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0136	0.0191
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0021	0.0091	0.207
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.013	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0174	0.0245
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0044	0.0441	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.017	0.024
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0136	0.0191
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0041	0.139
Loa Loa (eye worm)	hypothetical protein	0.0023	0.013	0.0184
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0044	0.0441	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0041	0.0058
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0305	0.043
Schistosoma mansoni	serine/threonine protein kinase	0.0162	0.2215	0.2215
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0041	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0513	0.0724
Trypanosoma cruzi	target of rapamycin kinase 3	0.0035	0.0306	0.6934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.017	0.024
Onchocerca volvulus		0.0023	0.013	0.5
Echinococcus granulosus	GPCR family 2	0.0015	0.001	0.001
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0441	0.0622
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0135	0.0191
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0208	0.0293
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.001	0.0015
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0044	0.0441	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.013	0.2955
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0136	0.0191
Echinococcus multilocularis	GPCR, family 2	0.0015	0.001	0.001
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0513	0.0724
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.001	0.001
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.013	0.0184
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0271	0.0382
Schistosoma mansoni	microtubule-associated protein tau	0.0679	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0441	0.0622
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0271	0.0382
Schistosoma mansoni	hypothetical protein	0.0161	0.2197	0.2197
Echinococcus multilocularis	calcium activated potassium channel	0.0162	0.2215	0.2215
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0044	0.0441	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0271	0.0382
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0044	0.0441	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0222	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0161	0.2197	0.3098
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0441	0.0622
Echinococcus granulosus	calcium activated potassium channel	0.0162	0.2215	0.2215
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.001	0.001
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.028	0.0396
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0271	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0033	0.028	0.0396
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0271	0.0382
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.001	0.0015
Trichomonas vaginalis	CAMK family protein kinase	0.0486	0.709	1
Schistosoma mansoni	hypothetical protein	0.0015	0.001	0.001
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.001	0.0015
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0035	0.0306	0.6934
Echinococcus multilocularis	hypothetical protein	0.0161	0.2197	0.2197
Loa Loa (eye worm)	hypothetical protein	0.0023	0.013	0.0184
Echinococcus granulosus	maternal embryonic leucine zipper kinase	0.0325	0.4671	0.4671
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0513	0.0724
Schistosoma mansoni	serine/threonine protein kinase	0.0162	0.2215	0.2215
Loa Loa (eye worm)	hypothetical protein	0.0023	0.013	0.0184
Echinococcus multilocularis	serine:threonine protein kinase MARK2	0.0162	0.2215	0.2215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0135	0.0191
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0035	0.0306	0.6934
Schistosoma mansoni	hypothetical protein	0.0033	0.028	0.028
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0044	0.0441	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.013	1
Loa Loa (eye worm)	CAMK/CAMKL/MELK protein kinase	0.0486	0.709	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0044	0.0441	0.0441
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.013	1
Schistosoma mansoni	hypothetical protein	0.0161	0.2197	0.2197
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0044	0.0441	0.0441
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0044	0.0441	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.0441	0.0622
Schistosoma mansoni	serine/threonine kinase	0.0486	0.709	0.709
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.013	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.013	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0033	0.0271	0.5
Schistosoma mansoni	hypothetical protein	0.0015	0.001	0.001
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.013	0.0184
Echinococcus multilocularis	maternal embryonic leucine zipper kinase	0.0325	0.4671	0.4671
Schistosoma mansoni	serine/threonine protein kinase	0.0162	0.2215	0.2215
Trichomonas vaginalis	CAMK family protein kinase	0.0325	0.4671	0.6588
Echinococcus multilocularis	microtubule associated protein 2	0.0679	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0271	0.0382
Brugia malayi	Protein kinase domain containing protein	0.0486	0.709	1
Schistosoma mansoni	hypothetical protein	0.0015	0.001	0.001

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: CHEMBL2010331

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 1631350