TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 274.275 | Formula: C13H14N4O3
H donors: 1 H acceptors: 4 LogP: 1.94 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)Cc1nn(c(n1)N)C(=O)c1ccccc1
InChi: 1S/C13H14N4O3/c1-2-20-11(18)8-10-15-13(14)17(16-10)12(19)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,14,15,16)
InChiKey: LCIORYVDGUICRT-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0775	1
Trypanosoma cruzi	cysteine peptidase, putative	0.002	0.0775	0.022
Echinococcus granulosus	JmjC domain containing protein 4	0.0018	0.0627	0.0738
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0082	0.8176	0.9594
Echinococcus granulosus	cathepsin l1	0.002	0.0775	0.0913
Brugia malayi	jmjC domain containing protein	0.0069	0.6669	0.785
Echinococcus granulosus	cathepsin L cysteine proteinase	0.002	0.0775	0.0913
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0018	0.0627	0.0738
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0775	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0775	1
Loa Loa (eye worm)	cysteine protease	0.002	0.0775	0.0775
Leishmania major	cathepsin L-like protease	0.0075	0.7367	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0775	1
Echinococcus multilocularis	cysteine protease	0.002	0.0775	0.0189
Schistosoma mansoni	phd/f-box containing protein	0.0018	0.0627	0.0738
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.7367	1
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0775	0.0913
Echinococcus multilocularis	conserved hypothetical protein	0.0063	0.5899	0.67
Schistosoma mansoni	jumonji domain containing protein	0.0069	0.6669	0.785
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0775	0.0775
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.7367	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0075	0.7367	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0775	0.0913
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.002	0.0775	1
Echinococcus granulosus	phd:f box containing protein	0.0018	0.0627	0.0738
Onchocerca volvulus		0.002	0.0775	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.7367	1
Plasmodium vivax	vivapain-2	0.002	0.0775	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0775	0.0913
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0775	1
Entamoeba histolytica	cysteine protease, putative	0.002	0.0775	0.0775
Loa Loa (eye worm)	fibroinase	0.002	0.0775	0.0775
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0775	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0775	0.0913
Echinococcus granulosus	lysine specific demethylase 5A	0.0069	0.6669	0.785
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.0775	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0627	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0627	0.0627
Echinococcus granulosus	jumonji domain containing 1A	0.0018	0.0627	0.0738
Brugia malayi	Cathepsin L-like precursor	0.002	0.0775	0.0913
Loa Loa (eye worm)	hypothetical protein	0.002	0.0775	0.0775
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0775	1
Loa Loa (eye worm)	ctsf protein	0.002	0.0775	0.0775
Echinococcus granulosus	lysine specific demethylase 6a	0.0018	0.0627	0.0738
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.7367	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0775	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.002	0.0775	0.0913
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0775	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.7367	1
Leishmania major	cathepsin L-like protease	0.002	0.0775	0.022
Leishmania major	cathepsin L-like protease	0.0075	0.7367	1
Brugia malayi	Glycosyl transferase family 8 protein	0.0084	0.8496	1
Leishmania major	cathepsin L-like protease	0.002	0.0775	0.022
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0775	1
Onchocerca volvulus		0.002	0.0775	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0069	0.6669	0.7679
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0775	0.0913
Brugia malayi	jmjC domain containing protein	0.0018	0.0627	0.0738
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0775	1
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0775	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.0775	0.0189
Onchocerca volvulus		0.002	0.0775	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0068	0.6592	0.8849
Brugia malayi	jmjC domain containing protein	0.0018	0.0627	0.0738
Onchocerca volvulus		0.002	0.0775	1
Leishmania major	cathepsin L-like protease	0.002	0.0775	0.022
Toxoplasma gondii	cathepsin CPL	0.002	0.0775	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0775	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.7367	1
Onchocerca volvulus		0.002	0.0775	1
Echinococcus multilocularis	cysteine protease	0.002	0.0775	0.0189
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.7367	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1026	0.1026
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0775	1
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0097	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.002	0.0775	0.0775
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0069	0.6669	0.785
Echinococcus granulosus	Glycosyltransferase protein LARGE1	0.0063	0.5899	0.6944
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.7367	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.7367	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.0627	0.0627
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0018	0.0627	0.0738
Loa Loa (eye worm)	glycosyl transferase family 8 protein	0.0084	0.8496	0.8496
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0627	0.0627
Schistosoma mansoni	jumonji domain containing protein	0.0018	0.0627	0.0738
Onchocerca volvulus		0.002	0.0775	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0775	1
Onchocerca volvulus	Cathepsin F homolog	0.002	0.0775	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0775	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.002	0.0775	0.0775
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.0775	0.0189
Brugia malayi	jmjC domain containing protein	0.0018	0.0627	0.0738
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.0627	0.0627
Leishmania major	cathepsin L-like protease	0.002	0.0775	0.022
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0775	0.0775
Loa Loa (eye worm)	jmjC domain-containing protein	0.0069	0.6669	0.6669
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0775	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0069	0.6669	0.785
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0775	1
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0775	1
Echinococcus multilocularis	Glycosyltransferase protein LARGE1	0.0063	0.5899	0.67
Brugia malayi	Cathepsin L-like precursor	0.002	0.0775	0.0913
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.0775	0.0189
Brugia malayi	AT16019p	0.0022	0.1026	0.1208
Echinococcus granulosus	Glycosyl transferase family 8	0.0084	0.8496	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0069	0.6669	0.785
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.002	0.0775	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0775	1
Leishmania major	cysteine peptidase A (CPA)	0.002	0.0775	0.022
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0775	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.002	0.0775	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0069	0.6669	0.7679
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.7367	1
Brugia malayi	jmjC domain containing protein	0.0069	0.6669	0.785
Brugia malayi	Cathepsin L-like precursor	0.002	0.0775	0.0913
Echinococcus multilocularis	Glycosyl transferase, family 8	0.0084	0.8496	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0059	0.5454	0.7162
Loa Loa (eye worm)	hypothetical protein	0.0097	1	1
Echinococcus granulosus	glycosyltransferase protein LARGE2	0.0082	0.8176	0.9624
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0775	1
Schistosoma mansoni	glycosyltransferase-related	0.0084	0.8496	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0775	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0775	1
Schistosoma mansoni	phosphatidylserine receptor	0.0018	0.0627	0.0738
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0082	0.8176	0.9594
Leishmania major	cathepsin L-like protease	0.002	0.0775	0.022
Leishmania major	cathepsin L-like protease	0.0075	0.7367	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0775	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.7367	1
Plasmodium vivax	vivapain-2	0.002	0.0775	1
Brugia malayi	jmjC domain containing protein	0.0018	0.0627	0.0738
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0775	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.7367	1
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0775	0.0913
Schistosoma mansoni	protein phosphatase 2C	0.0018	0.0627	0.0738
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0775	1
Onchocerca volvulus		0.002	0.0775	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.0627	0.0627
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.7367	1
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0082	0.8176	0.9594
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.7367	1

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

ChEMBL: CHEMBL450712

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 957713