TDR Targets

Basic information

Technical information

TDR Targets ID: 1276267
Name: ethyl 2-[[4-chloro-6-[(2,4-dimethoxyphenyl)am ino]-1,3,5-triazin-2-yl]amino]acetate
MW: 367.788 | Formula: C15H18ClN5O4
H donors: 2 H acceptors: 4 LogP: 3.36 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)CNc1nc(nc(n1)Cl)Nc1ccc(cc1OC)OC
InChi: 1S/C15H18ClN5O4/c1-4-25-12(22)8-17-14-19-13(16)20-15(21-14)18-10-6-5-9(23-2)7-11(10)24-3/h5-7H,4,8H2,1-3H3,(H2,17,18,19,20,21)
InChiKey: ADNYPWDNVHDBQE-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

2-[[4-chloro-6-[(2,4-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]acetic acid ethyl ester
2-[[4-chloro-6-[(2,4-dimethoxyphenyl)amino]-s-triazin-2-yl]amino]acetic acid ethyl ester
ethyl 2-[[4-chloro-6-[(2,4-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]ethanoate
BAS 01009818
ZINC00845962

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	metacaspase 5, putative	0.0141	0.0572	0.0004
Brugia malayi	Hexokinase family protein	0.1629	1	1
Echinococcus granulosus	hexokinase	0.1629	1	1
Trypanosoma brucei	hexokinase	0.1629	1	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0526	0.3011	0.3011
Schistosoma mansoni	serine/threonine protein kinase	0.0526	0.3011	0.3011
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqF	0.014	0.0568	0.015
Loa Loa (eye worm)	hexokinase	0.1629	1	1
Trypanosoma cruzi	hexokinase, putative	0.1629	1	1
Echinococcus granulosus	caspase 8	0.0141	0.0572	0.0572
Echinococcus multilocularis	hexokinase	0.1629	1	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0141	0.0572	0.003
Loa Loa (eye worm)	RNA binding protein	0.0069	0.0119	0.0119
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0136	0.0546	0.0546
Entamoeba histolytica	hexokinase 2	0.1629	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.026	0.133	0.0895
Trypanosoma cruzi	metacaspase, putative	0.0141	0.0572	0.0028
Mycobacterium leprae	PROBABLE CONSERVED LIPOPROTEIN LPQF	0.014	0.0568	0.5
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.1122	0.6787	0.7115
Trypanosoma brucei	hexokinase	0.1629	1	1
Loa Loa (eye worm)	hexokinase	0.0504	0.2875	0.2875
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0141	0.0572	0.003
Trypanosoma cruzi	hypothetical protein, conserved	0.1184	0.718	0.7018
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.0572	0.003
Loa Loa (eye worm)	hexokinase	0.1022	0.6155	0.6155
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.1122	0.6787	0.6592
Loa Loa (eye worm)	hypothetical protein	0.0518	0.2963	0.2963
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.0572	0.003
Onchocerca volvulus		0.1629	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0119	0.0119
Mycobacterium ulcerans	lipoprotein LpqF	0.014	0.0568	0.0026
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0526	0.3011	0.3011
Echinococcus granulosus	citrate lyase subunit beta protein	0.0136	0.0546	0.0546
Trichomonas vaginalis	CAMK family protein kinase	0.0526	0.3011	0.2811
Brugia malayi	glucose-6-phosphate dehydrogenase	0.1076	0.6494	0.6494
Echinococcus multilocularis	caspase 2	0.0141	0.0572	0.0572
Trypanosoma cruzi	polo-like protein kinase, putative	0.0526	0.3011	0.2608
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.0119	0.0119
Leishmania major	hypothetical protein, conserved	0.1184	0.718	0.7018
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0063	0.0063
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0119	0.0119
Echinococcus granulosus	hexokinase	0.1629	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0526	0.3011	0.2811
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.0572	0.003
Entamoeba histolytica	hexokinase 1	0.1629	1	1
Loa Loa (eye worm)	glutaminase 2	0.1522	0.9317	0.9317
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0141	0.0572	0.003
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0572	0.0572
Trichomonas vaginalis	CAMK family protein kinase	0.0526	0.3011	0.2811
Brugia malayi	glutaminase DH11.1	0.1522	0.9317	0.9317
Trypanosoma cruzi	Glucose-6-phosphate dehydrogenase, putative	0.0346	0.1874	0.1405
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.1122	0.6787	0.6592
Mycobacterium tuberculosis	Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD)	0.0373	0.2045	1
Trypanosoma brucei	polo-like protein kinase	0.0526	0.3011	0.2591
Echinococcus granulosus	caspase 3	0.0385	0.2121	0.2121
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.0119	0.0119
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.0572	0.003
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.0291	0.1528	0.6551
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0526	0.3011	0.2587
Loa Loa (eye worm)	transcription factor SMAD2	0.0533	0.306	0.306
Loa Loa (eye worm)	hypothetical protein	0.0518	0.2963	0.2963
Echinococcus multilocularis	glucose 6 phosphate 1 dehydrogenase	0.1076	0.6494	0.6494
Trypanosoma cruzi	hypothetical protein, conserved	0.1184	0.718	0.7018
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.1122	0.6787	0.6592
Schistosoma mansoni	glucose-6-phosphate 1-dehydrogenase	0.1076	0.6494	0.6494
Leishmania major	hexokinase, putative	0.1629	1	1
Trypanosoma cruzi	metacaspase 5, putative	0.0141	0.0572	0.0028
Loa Loa (eye worm)	hypothetical protein	0.006	0.0063	0.0063
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.0119	0.0119
Brugia malayi	hexokinase type II	0.0518	0.2963	0.2963
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0119	0.0119
Echinococcus granulosus	caspase	0.0526	0.3011	0.3011
Trichomonas vaginalis	CAMK family protein kinase	0.0526	0.3011	0.2811
Trichomonas vaginalis	glutaminase, putative	0.1522	0.9317	1
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0141	0.0572	0.0572
Mycobacterium ulcerans	glutaminase	0.1522	0.9317	1
Plasmodium vivax	hexokinase, putative	0.1629	1	1
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0526	0.3011	0.2608
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.1076	0.6494	0.6781
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0141	0.0572	0.003
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.0572	0.003
Trypanosoma brucei	glucose-6-phosphate 1-dehydrogenase	0.1076	0.6494	0.6283
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0572	0.0572
Giardia lamblia	Glucose-6-phosphate 1-dehydrogenase	0.1122	0.6787	1
Treponema pallidum	hexokinase (hxk)	0.1629	1	1
Schistosoma mansoni	glutaminase	0.1522	0.9317	0.9317
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0703	0.4131	0.3775
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0141	0.0572	0.003
Echinococcus multilocularis	caspase 8	0.0141	0.0572	0.0572
Echinococcus multilocularis	hexokinase	0.1629	1	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0081	0.0193	0.0193
Trypanosoma brucei	Metacaspase-4	0.0141	0.0572	0.0004
Brugia malayi	Hexokinase family protein	0.1022	0.6155	0.6155
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0119	0.0119
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0356	0.1939	0.1474
Schistosoma mansoni	hexokinase	0.1629	1	1
Trypanosoma brucei	metacaspase MCA3	0.0141	0.0572	0.0004
Trypanosoma cruzi	hexokinase, putative	0.1629	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0063	0.0063
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.0291	0.1528	0.112
Echinococcus multilocularis	hexokinase type 2	0.1629	1	1
Onchocerca volvulus	Hexokinase homolog	0.1022	0.6155	0.5922
Brugia malayi	RNA binding protein	0.0069	0.0119	0.0119
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.1122	0.6787	0.7115
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0141	0.0572	0.003
Echinococcus granulosus	hexokinase type 2	0.1629	1	1
Trypanosoma cruzi	metacaspase, putative	0.0141	0.0572	0.0028
Loa Loa (eye worm)	MH2 domain-containing protein	0.0533	0.306	0.306
Echinococcus granulosus	caspase 2	0.0141	0.0572	0.0572
Trichomonas vaginalis	CAMK family protein kinase	0.0526	0.3011	0.2811
Trypanosoma brucei	metacaspase	0.0141	0.0572	0.0004
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.1076	0.6494	0.6292
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.0119	0.0119
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0526	0.3011	0.2874
Loa Loa (eye worm)	hypothetical protein	0.1111	0.672	0.672
Schistosoma mansoni	caspase-3 (C14 family)	0.0526	0.3011	0.3011
Echinococcus multilocularis	caspase 3	0.0385	0.2121	0.2121
Plasmodium falciparum	hexokinase	0.1629	1	1
Brugia malayi	hypothetical protein	0.0081	0.0193	0.0193
Trichomonas vaginalis	CAMK family protein kinase	0.0526	0.3011	0.2811
Trichomonas vaginalis	CAMK family protein kinase	0.026	0.133	0.0895
Trypanosoma brucei	hexokinase, putative	0.1629	1	1
Echinococcus granulosus	glucose 6 phosphate 1 dehydrogenase	0.1076	0.6494	0.6494
Brugia malayi	Cell death protein 3 precursor	0.0141	0.0572	0.0572
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0119	0.0119
Chlamydia trachomatis	glucose-6-phosphate 1-dehydrogenase	0.1076	0.6494	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0081	0.0193	0.0193
Echinococcus multilocularis	caspase	0.0526	0.3011	0.3011
Onchocerca volvulus		0.1629	1	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0526	0.3011	0.3011
Onchocerca volvulus		0.1629	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0063	0.0063
Leishmania major	metacaspase, putative	0.0141	0.0572	0.0028
Schistosoma mansoni	caspase-7 (C14 family)	0.0526	0.3011	0.3011
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0526	0.3011	0.3011
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0141	0.0572	0.003
Trypanosoma cruzi	metacaspase, putative	0.0141	0.0572	0.0028
Brugia malayi	serine/threonine-protein kinase plk-2	0.0526	0.3011	0.3011
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0141	0.0572	0.0572
Loa Loa (eye worm)	hexokinase type II	0.1629	1	1
Trypanosoma brucei	metacaspase MCA2	0.0141	0.0572	0.0004
Trypanosoma cruzi	metacaspase 5, putative	0.0141	0.0572	0.0028
Echinococcus granulosus	tar DNA binding protein	0.0069	0.0119	0.0119
Schistosoma mansoni	caspase-7 (C14 family)	0.0141	0.0572	0.0572
Loa Loa (eye worm)	glucose-6-phosphate dehydrogenase	0.1076	0.6494	0.6494
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.1122	0.6787	0.7115
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.0572	0.003
Trypanosoma cruzi	metacaspase, putative	0.0141	0.0572	0.0028
Leishmania major	hexokinase, putative	0.1629	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0526	0.3011	0.2811
Loa Loa (eye worm)	hexokinase	0.1629	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0081	0.0193	0.0193
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0141	0.0572	0.003
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0703	0.4131	0.4087
Echinococcus granulosus	hexokinase	0.1629	1	1
Brugia malayi	TAR-binding protein	0.0069	0.0119	0.0119
Toxoplasma gondii	hexokinase	0.1629	1	1
Schistosoma mansoni	hypothetical protein	0.0081	0.0193	0.0193
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0141	0.0572	0.003
Echinococcus multilocularis	hexokinase	0.1629	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.1184	0.718	0.7011
Loa Loa (eye worm)	glutaminase	0.1522	0.9317	0.9317
Brugia malayi	MH2 domain containing protein	0.0533	0.306	0.306
Schistosoma mansoni	kinase	0.0267	0.1374	0.1374
Leishmania major	glucose-6-phosphate 1-dehydrogenase, putative	0.1076	0.6494	0.6292
Onchocerca volvulus		0.1022	0.6155	0.5922
Brugia malayi	Hexokinase family protein	0.0504	0.2875	0.2875
Trypanosoma cruzi	polo-like protein kinase, putative	0.0526	0.3011	0.2608
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0526	0.3011	0.3011

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.1623 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (binding)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1388013

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 1276267