TDR Targets

Basic information

Technical information

TDR Targets ID: 833876
Name: dimethyl 2-[3-(1,3,4,6-tetramethylpyrazolo[4, 5-e]pyridin-5-yl)propanoylamino]benzene-1,4-d icarboxylate
MW: 438.476 | Formula: C23H26N4O5
H donors: 1 H acceptors: 5 LogP: 3.32 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccc(cc1NC(=O)CCc1c(C)nc2c(c1C)c(C)nn2C)C(=O)OC
InChi: 1S/C23H26N4O5/c1-12-16(13(2)24-21-20(12)14(3)26-27(21)4)9-10-19(28)25-18-11-15(22(29)31-5)7-8-17(18)23(30)32-6/h7-8,11H,9-10H2,1-6H3,(H,25,28)
InChiKey: FJXSOFDZYNVNSJ-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-[[1-oxo-3-(1,3,4,6-tetramethyl-5-pyrazolo[4,5-e]pyridinyl)propyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester
2-[3-(1,3,4,6-tetramethylpyrazolo[4,5-e]pyridin-5-yl)propanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester

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 cruzi	cruzipain precursor, putative	0.0354	0.1744	0.1719
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0054	0.003	0.5
Onchocerca volvulus		0.0354	0.1744	1
Onchocerca volvulus		0.0354	0.1744	1
Brugia malayi	Cathepsin L-like precursor	0.0354	0.1744	0.1744
Trypanosoma cruzi	cysteine peptidase, putative	0.0354	0.1744	0.1719
Trypanosoma cruzi	cysteine peptidase, putative	0.0354	0.1744	0.1719
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0354	0.1744	0.4264
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0354	0.1744	0.1319
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0354	0.1744	0.1319
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0135	0.049	0.049
Brugia malayi	fibroinase precursor	0.0135	0.049	0.049
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1797	1	1
Onchocerca volvulus		0.0354	0.1744	1
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0137	0.0502	0.1387
Loa Loa (eye worm)	cathepsin B	0.0649	0.3431	0.3431
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0354	0.1744	0.4264
Loa Loa (eye worm)	hypothetical protein	0.0135	0.049	0.049
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0135	0.049	0.049
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0354	0.1744	0.4264
Schistosoma mansoni	cathepsin F (C01 family)	0.0354	0.1744	0.1319
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0354	0.1744	0.5039
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0354	0.1744	0.5039
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0649	0.3431	0.3411
Echinococcus multilocularis	cysteine protease	0.0354	0.1744	0.1319
Plasmodium vivax	vivapain-2	0.0354	0.1744	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0135	0.049	0.0461
Entamoeba histolytica	cysteine proteinase, putative	0.0354	0.1744	1
Brugia malayi	prolyl oligopeptidase family protein	0.0137	0.0502	0.0502
Giardia lamblia	Cathepsin B precursor	0.0649	0.3431	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0354	0.1744	0.5039
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0137	0.0502	0.0013
Trypanosoma brucei	prolyl endopeptidase	0.0137	0.0502	0.1387
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0354	0.1744	0.4264
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0354	0.1744	0.1744
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0354	0.1744	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0354	0.1744	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0354	0.1744	0.4264
Giardia lamblia	Cathepsin B precursor	0.0649	0.3431	1
Brugia malayi	Cathepsin L-like precursor	0.0354	0.1744	0.1744
Loa Loa (eye worm)	hypothetical protein	0.0135	0.049	0.049
Entamoeba histolytica	cysteine proteinase, putative	0.0354	0.1744	1
Leishmania major	cathepsin L-like protease	0.0354	0.1744	0.5039
Echinococcus multilocularis	cathepsin L cysteine protease	0.0354	0.1744	0.1319
Trypanosoma cruzi	cysteine protease, putative	0.0135	0.049	0.0461
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0054	0.003	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0135	0.049	0.0461
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0354	0.1744	0.5039
Onchocerca volvulus		0.0354	0.1744	1
Loa Loa (eye worm)	cysteine protease	0.0354	0.1744	0.1744
Trypanosoma cruzi	cysteine peptidase, putative	0.0354	0.1744	0.1719
Echinococcus granulosus	cathepsin b	0.1797	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0135	0.049	0.049
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0354	0.1744	0.4264
Leishmania major	cathepsin L-like protease	0.0354	0.1744	0.5039
Loa Loa (eye worm)	hypothetical protein	0.0354	0.1744	0.1744
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0354	0.1744	0.4264
Loa Loa (eye worm)	hypothetical protein	0.0354	0.1744	0.1744
Loa Loa (eye worm)	hypothetical protein	0.0135	0.049	0.049
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0354	0.1744	0.1319
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0354	0.1744	0.4264
Brugia malayi	Cathepsin L-like precursor	0.0354	0.1744	0.1744
Toxoplasma gondii	cathepsin CPL	0.0354	0.1744	0.4264
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0354	0.1744	0.4264
Brugia malayi	Papain family cysteine protease containing protein	0.0135	0.049	0.049
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0354	0.1744	0.4264
Toxoplasma gondii	prolyl endopeptidase	0.0137	0.0502	0.0041
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0649	0.3431	1
Onchocerca volvulus		0.0354	0.1744	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0135	0.049	0.0461
Leishmania major	cathepsin L-like protease	0.0354	0.1744	0.5039
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0123	0.042	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1797	1	1
Trypanosoma cruzi	prolyl endopeptidase	0.0137	0.0502	0.0473
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1797	1	1
Leishmania major	cysteine peptidase A (CPA)	0.0354	0.1744	0.5039
Echinococcus granulosus	cathepsin b	0.1797	1	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0135	0.049	0.049
Brugia malayi	cathepsin L precursor	0.0135	0.049	0.049
Onchocerca volvulus	Cathepsin L homolog	0.0354	0.1744	1
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0137	0.0502	0.0013
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1797	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0354	0.1744	0.5039
Entamoeba histolytica	cysteine proteinase, putative	0.0354	0.1744	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0354	0.1744	0.4264
Brugia malayi	cathepsin F-like cysteine proteinase	0.0135	0.049	0.049
Loa Loa (eye worm)	ctsf protein	0.0354	0.1744	0.1744
Entamoeba histolytica	cysteine protease, putative	0.0354	0.1744	1
Plasmodium vivax	vivapain-2	0.0354	0.1744	1
Onchocerca volvulus		0.0354	0.1744	1
Brugia malayi	Papain family cysteine protease containing protein	0.0354	0.1744	0.1744
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0502	0.0502
Giardia lamblia	Cathepsin B precursor	0.0649	0.3431	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0354	0.1744	0.5039
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0354	0.1744	0.4264
Echinococcus multilocularis	cathepsin L cysteine protease	0.0354	0.1744	0.1319
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0354	0.1744	0.4264
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0354	0.1744	0.5039
Schistosoma mansoni	cathepsin F (C01 family)	0.0354	0.1744	0.1319
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0354	0.1744	0.4264
Loa Loa (eye worm)	hypothetical protein	0.0135	0.049	0.049
Trypanosoma cruzi	cysteine proteinase, putative	0.0135	0.049	0.0461
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0135	0.049	0.1352
Trypanosoma cruzi	cysteine peptidase, putative	0.0354	0.1744	0.1719
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0649	0.3431	1
Echinococcus multilocularis	cysteine protease	0.0354	0.1744	0.1319
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0354	0.1744	0.4264
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0354	0.1744	0.4264
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0354	0.1744	0.1319
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0354	0.1744	0.4264
Brugia malayi	cathepsin L-like precursor	0.0354	0.1744	0.1744
Leishmania major	cathepsin L-like protease	0.0354	0.1744	0.5039
Loa Loa (eye worm)	hypothetical protein	0.0354	0.1744	0.1744
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0137	0.0502	0.0095
Loa Loa (eye worm)	fibroinase	0.0354	0.1744	0.1744
Leishmania major	cathepsin L-like protease	0.0354	0.1744	0.5039
Leishmania major	cathepsin L-like protease	0.0354	0.1744	0.5039
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0354	0.1744	0.4264
Echinococcus granulosus	cathepsin l1	0.0354	0.1744	0.1319
Brugia malayi	Papain family cysteine protease containing protein	0.0135	0.049	0.049
Loa Loa (eye worm)	hypothetical protein	0.0354	0.1744	0.1744
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0354	0.1744	0.1719
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0354	0.1744	0.4264
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0354	0.1744	0.5039
Brugia malayi	Cathepsin L-like precursor	0.0354	0.1744	0.1744
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0354	0.1744	0.4264
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0354	0.1744	0.4264
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0354	0.1744	0.4264
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0354	0.1744	0.1744
Loa Loa (eye worm)	hypothetical protein	0.0135	0.049	0.049
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0354	0.1744	0.4264
Loa Loa (eye worm)	hypothetical protein	0.0135	0.049	0.049
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0135	0.049	0.0461
Onchocerca volvulus	Cathepsin F homolog	0.0354	0.1744	1
Onchocerca volvulus		0.0354	0.1744	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0354	0.1744	1
Onchocerca volvulus		0.0354	0.1744	1
Brugia malayi	Cathepsin L-like precursor	0.0354	0.1744	0.1744
Trypanosoma cruzi	major cysteine proteinase, putative	0.0135	0.049	0.0461
Brugia malayi	cathepsin L-like cysteine proteinase	0.0135	0.049	0.049
Brugia malayi	Cathepsin L-like precursor	0.0354	0.1744	0.1744
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0135	0.049	0.049
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0649	0.3431	0.3093
Brugia malayi	Cathepsin L-like precursor	0.0354	0.1744	0.1744
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0354	0.1744	0.4264
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0354	0.1744	0.5039
Brugia malayi	Cathepsin L-like precursor	0.0354	0.1744	0.1744
Onchocerca volvulus	Cathepsin L homolog	0.0354	0.1744	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0354	0.1744	0.1319
Echinococcus granulosus	cathepsin l1	0.0354	0.1744	0.1319
Echinococcus multilocularis	prolyl endopeptidase	0.0137	0.0502	0.0013
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0354	0.1744	0.4264
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0135	0.049	0.1352
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0354	0.1744	0.4264
Leishmania major	cathepsin L-like protease	0.0354	0.1744	0.5039
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0135	0.049	0.049
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0135	0.049	0.049
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0354	0.1744	0.5039
Toxoplasma gondii	cathepsin B	0.0649	0.3431	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1797	1	1
Echinococcus granulosus	prolyl endopeptidase	0.0137	0.0502	0.0013
Loa Loa (eye worm)	hypothetical protein	0.1797	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0135	0.049	0.049
Echinococcus multilocularis	cathepsin b	0.1797	1	1
Leishmania major	cathepsin L-like protease	0.0354	0.1744	0.5039
Brugia malayi	Papain family cysteine protease containing protein	0.0135	0.049	0.049
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0354	0.1744	0.1744
Echinococcus multilocularis	cathepsin b	0.1797	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0354	0.1744	0.4264
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0649	0.3431	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0354	0.1744	0.5039

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 833876