TDR Targets

Basic information

Technical information

TDR Targets ID: 1281433
Name: ethyl 4-(cyclopropylamino)-1-ethyl-3-methylpy razolo[4,5-e]pyridine-5-carboxylate
MW: 288.345 | Formula: C15H20N4O2
H donors: 1 H acceptors: 3 LogP: 2.84 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1cnc2c(c1NC1CC1)c(C)nn2CC
InChi: 1S/C15H20N4O2/c1-4-19-14-12(9(3)18-19)13(17-10-6-7-10)11(8-16-14)15(20)21-5-2/h8,10H,4-7H2,1-3H3,(H,16,17)
InChiKey: AICBJKJQMWCWIV-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

ethyl 4-(cyclopropylamino)-1-ethyl-3-methyl-pyrazolo[4,5-e]pyridine-5-carboxylate
4-(cyclopropylamino)-1-ethyl-3-methyl-5-pyrazolo[4,5-e]pyridinecarboxylic acid ethyl ester
4-(cyclopropylamino)-1-ethyl-3-methyl-pyrazolo[4,5-e]pyridine-5-carboxylic acid ethyl ester
ethyl 4-(cyclopropylamino)-1-ethyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
12W-0034
MLS000696521
SMR000336636

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	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 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0054	0.1082	0.1015
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.0354	0.9498	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.03	0.0181
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2028	1
Echinococcus granulosus	lamin	0.0028	0.0371	0.0267
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2028	0.5
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.0892	0.2295
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0727	0.2177
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2028	0.2026
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.0892	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.03	0.0181
Schistosoma mansoni	hypothetical protein	0.0041	0.0727	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0356	0.1066
Loa Loa (eye worm)	transcription factor SMAD2	0.0134	0.3342	1
Schistosoma mansoni	ap endonuclease	0.002	0.0131	0.0024
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0354	0.9498	1
Toxoplasma gondii	hypothetical protein	0.003	0.0418	0.0307
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0792	0.0692
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0138	0.3448	0.3377
Schistosoma mansoni	chromobox protein	0.0078	0.176	0.1671
Schistosoma mansoni	serine/threonine protein kinase	0.0054	0.1082	0.0985
Brugia malayi	MAP kinase sur-1	0.0054	0.1082	0.1139
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.03	0.0181
Brugia malayi	Zinc finger, C2H2 type family protein	0.0138	0.3448	0.363
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1262	0.1329
Schistosoma mansoni	hypothetical protein	0.0043	0.0792	0.0692
Echinococcus multilocularis	mitogen activated protein kinase	0.0054	0.1082	0.0985
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0371	0.111
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0138	0.3448	1
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0138	0.3448	0.3541
Echinococcus multilocularis	chromobox protein 1	0.0078	0.176	0.1671
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2028	0.5
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.0354	0.9498	1
Echinococcus multilocularis	lamin dm0	0.0028	0.0371	0.0267
Trypanosoma brucei	protein kinase, putative	0.0054	0.1082	0.1015
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.1082	0.2867
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0087	0.2028	0.2026
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0138	0.3448	1
Schistosoma mansoni	lamin	0.0028	0.0371	0.0267
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0054	0.1082	0.3236
Brugia malayi	MH2 domain containing protein	0.0134	0.3342	0.3519
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0054	0.1082	0.0985
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.1082	0.2867
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0354	0.9498	1
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0107	0.0112
Brugia malayi	hypothetical protein	0.0017	0.0042	0.0044
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.0354	0.9498	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0087	0.2028	0.1942
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2028	0.2026
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0057	0.1182	0.1122
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0087	0.2028	0.2026
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0354	0.9498	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0131	0.0391
Brugia malayi	intermediate filament protein	0.0028	0.0371	0.0391
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0792	0.0692
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0057	0.1182	0.1122
Echinococcus granulosus	chromobox protein 1	0.0078	0.176	0.1671
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0131	0.0024
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0138	0.3448	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0792	0.1993
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1262	0.1329
Brugia malayi	Heterochromatin protein 1	0.0078	0.176	0.1853
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0799	0.2014
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0371	0.0267
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2028	0.2026
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0054	0.1082	0.1015
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0087	0.2028	0.1773
Echinococcus multilocularis	lamin	0.0028	0.0371	0.0267
Entamoeba histolytica	hypothetical protein	0.0043	0.0792	0.1993
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0138	0.3448	1
Echinococcus granulosus	lamin dm0	0.0028	0.0371	0.0267
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0057	0.1182	0.1087
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0107	0.032
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0054	0.1082	0.1015
Echinococcus granulosus	mitogen activated protein kinase	0.0054	0.1082	0.0985
Plasmodium falciparum	dihydroorotate dehydrogenase	0.0354	0.9498	1
Schistosoma mansoni	ap endonuclease	0.002	0.0131	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0534	0.1597
Brugia malayi	Probable ClpP-like protease	0.0087	0.2028	0.2135
Brugia malayi	hypothetical protein	0.0026	0.03	0.0316
Echinococcus multilocularis	musashi	0.0028	0.0371	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0026	0.03	0.0898
Schistosoma mansoni	hypothetical protein	0.0371	1	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.003	0.0418	0.0307
Loa Loa (eye worm)	heterochromatin protein 1	0.0078	0.176	0.5267
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.0892	0.2295
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0799	0.239
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.003	0.0418	0.1516
Schistosoma mansoni	hypothetical protein	0.0371	1	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0371	0.111
Echinococcus multilocularis	chromobox protein 1	0.0078	0.176	0.1671
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.03	0.0181
Entamoeba histolytica	hypothetical protein	0.0043	0.0792	0.1993
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0138	0.3448	0.3377
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0054	0.1082	0.1015
Schistosoma mansoni	peptidase Clp (S14 family)	0.0087	0.2028	0.1942
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.0354	0.9498	1
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0354	0.9498	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0371	0.0391
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1262	0.3777
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0054	0.1082	0.1015
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0131	0.0024
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2028	0.2026
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0354	0.9498	1
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0792	0.0692
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0138	0.3448	0.3377
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0138	0.3448	1
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0131	0.0138
Echinococcus granulosus	chromobox protein 1	0.0078	0.176	0.1671
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.03	0.0181
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0138	0.3448	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.03	0.0181
Brugia malayi	hypothetical protein	0.0043	0.0792	0.0834
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0044	0.0799	0.8212
Echinococcus multilocularis	geminin	0.0371	1	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.1262	0.3777
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0054	0.1082	0.1015
Entamoeba histolytica	hypothetical protein	0.0043	0.0792	0.1993
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.03	0.0181
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0054	0.1082	0.1015
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0138	0.3448	0.3377
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0727	0.0766
Giardia lamblia	Kinase, CMGC MAPK	0.0054	0.1082	1
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0441	0.0934
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.1082	0.2867
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0107	0.0112
Schistosoma mansoni	lamin	0.0028	0.0371	0.0267
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.1082	0.2867
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.176	0.4913
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.0354	0.9498	1
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.0354	0.9498	1
Leishmania major	dihydroorotate dehydrogenase	0.0354	0.9498	1
Schistosoma mansoni	hypothetical protein	0.0055	0.1104	0.1008
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0799	0.2014
Onchocerca volvulus		0.0034	0.0534	0.3124
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0057	0.1182	0.0841
Loa Loa (eye worm)	MH2 domain-containing protein	0.0134	0.3342	1
Echinococcus granulosus	intermediate filament protein	0.0028	0.0371	0.0267
Echinococcus granulosus	peptidase Clp S14 family	0.0057	0.1182	0.1087
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0087	0.2028	0.1942
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.0354	0.9498	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0054	0.1082	0.1015
Schistosoma mansoni	chromobox protein	0.0078	0.176	0.1671
Loa Loa (eye worm)	hypothetical protein	0.0087	0.2028	0.6069
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0371	0.111
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.003	0.0418	0.0307
Schistosoma mansoni	dihydroorotate dehydrogenase	0.0354	0.9498	0.9493
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0441	0.0934
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0138	0.3448	1
Brugia malayi	chromobox protein homolog 3	0.0044	0.0799	0.0841
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0107	0.032
Leishmania major	hypothetical protein, conserved	0.0026	0.03	0.0181
Echinococcus granulosus	mitogen activated protein kinase 3	0.0054	0.1082	0.0985
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0087	0.2028	0.2026
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.176	0.4913

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.6234 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.2753 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 (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.581 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	= 89.1251 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1391222

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 1281433