TDR Targets

Basic information

Technical information

TDR Targets ID: 116320
Name: 4-[[4-[(2,6-dichlorophenyl)methyl]-6-(ethoxya mino)-1,3,5-triazin-2-yl]amino]benzonitrile
MW: 415.276 | Formula: C19H16Cl2N6O
H donors: 2 H acceptors: 4 LogP: 5.51 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCONc1nc(Nc2ccc(cc2)C#N)nc(n1)Cc1c(Cl)cccc1Cl
InChi: 1S/C19H16Cl2N6O/c1-2-28-27-19-25-17(10-14-15(20)4-3-5-16(14)21)24-18(26-19)23-13-8-6-12(11-22)7-9-13/h3-9H,2,10H2,1H3,(H2,23,24,25,26,27)
InChiKey: WTABDJYBONBOBB-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

4-[[4-[(2,6-dichlorophenyl)methyl]-6-(ethoxyamino)-1,3,5-triazin-2-yl]amino]benzenecarbonitrile
4-[[4-(2,6-dichlorobenzyl)-6-(ethoxyamino)-s-triazin-2-yl]amino]benzonitrile
4-({3-[(2,6-Dichlorophenyl)methyl]-5-(ethoxyamino)1,3,5-triazin-2-yl}amino)benzenecarbonitrile
AIDS-108555
AIDS108555

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	transcription factor BTF3, putative	0.0036	0.0083	0.8239
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0138	0.1677
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0013	0.0156
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0008	0.0096
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0188	0.228
Schistosoma mansoni	transcription factor btf3	0.0036	0.0083	0.1249
Leishmania major	cysteinyl-tRNA synthetase, putative	0.0041	0.0101	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0013	0.0178
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0083	0.7694
Trypanosoma cruzi	transcription factor btf3, putative	0.0036	0.0083	0.8239
Loa Loa (eye worm)	ICD-1 protein	0.0036	0.0083	0.1012
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0188	0.3217
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0054	0.0728
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0013	0.0176
Entamoeba histolytica	cysteinyl-tRNA synthetase, putative	0.0041	0.0101	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0003	0.0032
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0013	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0013	0.0155
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0188	0.3096
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0013	0.0002
Echinococcus multilocularis	cysteinyl tRNA synthetase	0.0041	0.0101	0.1713
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0054	0.0655
Leishmania major	basic transcription factor 3a, putative	0.0036	0.0083	0.8239
Trypanosoma brucei	cysteinyl-tRNA synthetase, putative	0.0041	0.0101	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0054	0.0655
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0024	0.2365
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0108	0.0345	0.5954
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0013	0.0178
Schistosoma mansoni	hypothetical protein	0.0172	0.0578	1
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0188	0.228
Entamoeba histolytica	transcription factor BTF3, putative	0.0036	0.0083	0.7694
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0013	0.1272
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0013	0.0178
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0013	0.0155
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0024	0.0024
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0013	0.0176
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0024	0.2365
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0188	0.3096
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0054	0.0655
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0101	0.1228
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0024	0.2365
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0083	0.7694
Onchocerca volvulus		0.0041	0.0101	1
Schistosoma mansoni	ap endonuclease	0.0019	0.0024	0.0197
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0013	0.0178
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0013	0.0155
Echinococcus multilocularis	musashi	0.0027	0.0054	0.0892
Toxoplasma gondii	cysteine-tRNA synthetase (CysRS)	0.0041	0.0101	1
Toxoplasma gondii	NAC domain-containing protein	0.0036	0.0083	0.7982
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0188	0.3096
Echinococcus granulosus	cysteinyl tRNA synthetase	0.0041	0.0101	0.1713
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0001	0.001
Entamoeba histolytica	hypothetical protein	0.0036	0.0083	0.7694
Plasmodium falciparum	cysteine--tRNA ligase	0.0041	0.0101	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0188	0.3096
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0024	0.0291
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0013	0.1272
Schistosoma mansoni	ap endonuclease	0.0019	0.0024	0.0197
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0041	0.0101	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0024	0.037
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0024	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0035	0.008	0.0973
Brugia malayi	RNA binding protein	0.0064	0.0188	0.228
Schistosoma mansoni	lamin	0.0027	0.0054	0.0728
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0.0013	0.1272
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0188	0.228
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0024	0.0291
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0013	0.0155
Echinococcus granulosus	intermediate filament protein	0.0027	0.0054	0.0892
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0024	0.2365
Mycobacterium tuberculosis	Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC	0.2778	1	1
Echinococcus multilocularis	transcription factor btf3	0.0036	0.0083	0.1403
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0052	0.0633
Treponema pallidum	cysteinyl-tRNA synthetase	0.0041	0.0101	1
Wolbachia endosymbiont of Brugia malayi	cysteinyl-tRNA synthetase	0.0041	0.0101	1
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0054	0.0655
Plasmodium vivax	basic transcription factor 3b, putative	0.0036	0.0083	0.7982
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.024	0.0824	1
Echinococcus granulosus	geminin	0.0172	0.0578	1
Echinococcus granulosus	transcription factor btf3	0.0036	0.0083	0.1403
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0013	0.1272
Brugia malayi	follicle stimulating hormone receptor	0.024	0.0824	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0013	0.0176
Brugia malayi	TAR-binding protein	0.0064	0.0188	0.228
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0008	0.0096
Brugia malayi	beta-NAC-like protein	0.0036	0.0083	0.1012
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0024	0.1253
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0013	0.0176
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0024	0.1253
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0041	0.0101	1
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0041	0.0101	0.1564
Chlamydia trachomatis	cysteine--tRNA ligase	0.0041	0.0101	0.5
Schistosoma mansoni	lamin	0.0027	0.0054	0.0728
Echinococcus multilocularis	lamin dm0	0.0027	0.0054	0.0892
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0188	0.228
Plasmodium vivax	cysteine--tRNA ligase, putative	0.0041	0.0101	1
Plasmodium falciparum	basic transcription factor 3b, putative	0.0036	0.0083	0.7982
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0188	0.3217
Trichomonas vaginalis	cysteinyl-tRNA synthetase, putative	0.0041	0.0101	1
Echinococcus multilocularis	geminin	0.0172	0.0578	1
Echinococcus granulosus	lamin	0.0027	0.0054	0.0892
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0013	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0001	0.001
Echinococcus granulosus	GPCR family 2	0.0016	0.0013	0.0176
Toxoplasma gondii	exonuclease III APE	0.0019	0.0024	0.1253
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0138	0.1677
Brugia malayi	cysteinyl tRNA synthetase protein 1	0.0041	0.0101	0.1228
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0083	0.7694
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0013	0.0178
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0104	0.0331	0.5698
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0188	0.3096
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0.0013	0.1272
Schistosoma mansoni	retinoic acid receptor RXR	0.0108	0.0345	0.5882
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0138	0.1677
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0041	0.0101	0.1564
Schistosoma mansoni	hypothetical protein	0.0172	0.0578	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0024	0.037
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.2778	1	1
Schistosoma mansoni	hypothetical protein	0.0035	0.008	0.1191
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.008	0.0973
Loa Loa (eye worm)	cysteinyl tRNA synthetase 1	0.0041	0.0101	0.1228
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0013	0.0178
Brugia malayi	intermediate filament protein	0.0027	0.0054	0.0655
Trypanosoma cruzi	transcription factor btf3, putative	0.0036	0.0083	0.8239
Plasmodium falciparum	cysteine--tRNA ligase	0.0041	0.0101	1
Giardia lamblia	Cysteinyl-tRNA synthetase	0.0041	0.0101	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0138	0.1677
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0013	0.0176
Echinococcus multilocularis	lamin	0.0027	0.0054	0.0892
Echinococcus granulosus	leucyl tRNA synthetase	0.0041	0.0101	0.1713
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.0041	0.0101	0.0101
Echinococcus granulosus	lamin dm0	0.0027	0.0054	0.0892

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	ND 0 uM	Inhibitory activity against 100I strain of HIV-I in MT-4 cell was determined.	ChEMBL.	11527704
IC50 (functional)	0 uM	Inhibitory activity against 103N strain of HIV-I in MT-4 cell was determined; Not determined	ChEMBL.	11527704
IC50 (functional)	0 uM	Inhibitory activity against 181C strain of HIV-I in MT-4 cell was determined; Not determined	ChEMBL.	11527704
IC50 (functional)	ND 0 uM	Inhibitory activity against 188L strain of HIV-I in MT-4 cell was determined.	ChEMBL.	11527704
IC50 (functional)	= 0.0246 uM	Inhibitory activity against LAI strain of HIV-I in MT-4 cell was determined; Not determined	ChEMBL.	11527704
IC50 (functional)	= 0.0246 uM	Inhibitory activity against LAI strain of HIV-I in MT-4 cell was determined; Not determined	ChEMBL.	11527704

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	11527704

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: CHEMBL69390
PubChem: 486431

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 116320