TDR Targets

Basic information

Technical information

TDR Targets ID: 671250
Name: 4-[(4-dimethylaminophenyl)methylideneamino]-5 -(2-methylphenyl)-2H-1,2,4-triazole-3-thione
MW: 337.442 | Formula: C18H19N5S
H donors: 0 H acceptors: 2 LogP: 3.79 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN(c1ccc(cc1)C=Nn1c(S)nnc1c1ccccc1C)C
InChi: 1S/C18H19N5S/c1-13-6-4-5-7-16(13)17-20-21-18(24)23(17)19-12-14-8-10-15(11-9-14)22(2)3/h4-12H,1-3H3,(H,21,24)/b19-12+
InChiKey: NCUZHICTGZVYJY-XDHOZWIPSA-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

4-[(4-dimethylaminophenyl)methyleneamino]-5-(2-methylphenyl)-2H-1,2,4-triazole-3-thione
4-[(4-dimethylaminobenzylidene)amino]-5-(2-methylphenyl)-2H-1,2,4-triazole-3-thione
ST5061848
ZINC00460407
Oprea1_726635

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
Brugia malayi	RNA binding protein	0.0066	0.5393	0.5393
Trypanosoma brucei	cytochrome P450, putative	0.0037	0.2677	0.5534
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0054	0.4281	1
Loa Loa (eye worm)	RNA binding protein	0.0066	0.5393	0.5393
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0054	0.4281	1
Schistosoma mansoni	serine/threonine protein kinase	0.0054	0.4281	0.7938
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0689	0.1278
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0019	0.0984	0.1903
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.4281	1
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.4281	1
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.2589	0.5
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.2589	0.5289
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0019	0.0984	0.1903
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0019	0.0984	0.1903
Schistosoma mansoni	inositol monophosphatase	0.0036	0.2589	0.48
Loa Loa (eye worm)	cytochrome P450 family protein	0.0037	0.2677	0.2677
Echinococcus granulosus	mitogen activated protein kinase 3	0.0054	0.4281	0.7938
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0019	0.0984	0.1903
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0054	0.4281	0.4281
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.0689	0.1278
Brugia malayi	Cytochrome P450 family protein	0.0037	0.2677	0.2677
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.5393	1
Echinococcus granulosus	tar DNA binding protein	0.0066	0.5393	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.2589	0.5
Trypanosoma brucei	protein kinase, putative	0.0054	0.4281	1
Brugia malayi	Inositol-1	0.0036	0.2589	0.2589
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.0689	0.0689
Schistosoma mansoni	cytochrome P450	0.0019	0.0984	0.1825
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0019	0.0984	0.1903
Echinococcus multilocularis		0.0019	0.0984	0.1825
Brugia malayi	Cytochrome P450 family protein	0.0079	0.6547	0.6547
Brugia malayi	TAR-binding protein	0.0066	0.5393	0.5393
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0019	0.0984	0.1903
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0019	0.0984	0.0822
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0054	0.4281	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.2589	0.48
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.4281	1
Leishmania major	cytochrome p450-like protein	0.0019	0.0984	0.0822
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.5393	0.5393
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.0689	0.1278
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0054	0.4281	1
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.5393	1
Echinococcus granulosus	mitogen activated protein kinase	0.0054	0.4281	0.7938
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	1	1
Loa Loa (eye worm)	inositol-1	0.0036	0.2589	0.2589
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.5393	1
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0019	0.0984	0.1903
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.5393	1
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.2589	0.5289
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0019	0.0984	0.0822
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0019	0.0984	0.1903
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.2589	0.48
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.2589	0.5289
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0019	0.0984	0.1903
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0019	0.0984	0.1903
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0015	0.0689	0.5
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0019	0.0984	0.0822
Loa Loa (eye worm)	CYP4Cod1	0.0037	0.2677	0.2677
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.5393	1
Brugia malayi	cytochrome P450	0.0019	0.0984	0.0984
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.5393	1
Brugia malayi	Cytochrome P450 family protein	0.0019	0.0984	0.0984
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0019	0.0984	0.1903
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0054	0.4281	0.7938
Brugia malayi	isocitrate dehydrogenase	0.0015	0.0689	0.0689
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.0689	0.0689
Trypanosoma cruzi	cytochrome P450, putative	0.0037	0.2677	0.5534
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0054	0.4281	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.0689	0.1278
Brugia malayi	MAP kinase sur-1	0.0054	0.4281	0.4281
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0019	0.0984	0.1903
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0032	0.2241	1
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0019	0.0984	0.1903
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0037	0.2677	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0689	0.1278
Brugia malayi	Cytochrome P450 family protein	0.0037	0.2677	0.2677
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0019	0.0984	0.1903
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0019	0.0984	0.0822
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.0689	0.1278
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0054	0.4281	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	1	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0015	0.0689	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0019	0.0984	0.1903
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0054	0.4281	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.2589	0.5289
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.2589	0.5289
Echinococcus multilocularis	mitogen activated protein kinase	0.0054	0.4281	0.7938
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0019	0.0984	0.1903
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0019	0.0984	0.0822
Echinococcus granulosus	cytochrome P450 2K1	0.0019	0.0984	0.1825
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0019	0.0984	0.1903
Leishmania major	cytochrome p450-like protein	0.0037	0.2677	0.5534
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0019	0.0984	0.1903
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0019	0.0984	0.1903
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0962	0.0962
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0019	0.0984	0.0822
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.4281	1
Loa Loa (eye worm)	cytochrome P450	0.0019	0.0984	0.0984
Loa Loa (eye worm)	cytochrome P450 family protein	0.0037	0.2677	0.2677
Loa Loa (eye worm)	cytochrome P450 family protein	0.0079	0.6547	0.6547
Trypanosoma cruzi	cytochrome P450, putative	0.0037	0.2677	0.5534
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.5393	0.5393
Leishmania major	cytochrome p450-like protein	0.0019	0.0984	0.0822
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0054	0.4281	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.5393	0.5393
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0689	0.1278
Schistosoma mansoni	hypothetical protein	0.0019	0.0984	0.1825
Giardia lamblia	Kinase, CMGC MAPK	0.0054	0.4281	0.5
Schistosoma mansoni	inositol monophosphatase	0.0036	0.2589	0.48
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0032	0.2241	1
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0019	0.0984	0.1903
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.2589	0.9479

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 671250