TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 258.203 | Formula: C10H11FN2O5
H donors: 0 H acceptors: 4 LogP: 0.5 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)n1cc(F)c(=O)n(c1=O)C(=O)CC
InChi: 1S/C10H11FN2O5/c1-3-7(14)13-8(15)6(11)5-12(9(13)16)10(17)18-4-2/h5H,3-4H2,1-2H3
InChiKey: GKQFUZNZLJPMCQ-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

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
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0228	0.069
Toxoplasma gondii	microneme protein MIC4	0.0037	0.0029	0.0079
Toxoplasma gondii	subtilisin SUB12	0.0044	0.008	0.0275
Toxoplasma gondii	hypothetical protein	0.0037	0.0029	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0187	0.0565
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0035	0.0008	0.0021
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0035	0.0008	0.009
Toxoplasma gondii	PAN domain-containing protein	0.0037	0.0029	0.0079
Echinococcus multilocularis	cysteine protease	0.0035	0.0008	0.0021
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0431	0.3306	1
Brugia malayi	PAN domain containing protein	0.0037	0.0029	0.0062
Entamoeba histolytica	cysteine proteinase, putative	0.0035	0.0008	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0035	0.0008	0.009
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0035	0.0008	0.009
Loa Loa (eye worm)	hypothetical protein	0.008	0.0384	0.1161
Onchocerca volvulus		0.0037	0.0029	0.0275
Giardia lamblia	Cathepsin B precursor	0.0145	0.0924	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0035	0.0008	0.009
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0431	0.3306	0.3306
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0029	0.0087
Loa Loa (eye worm)	fibroinase	0.0035	0.0008	0.0025
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0431	0.3306	0.3306
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0035	0.0008	0.009
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0125	0.0755	0.0755
Onchocerca volvulus		0.0125	0.0755	1
Echinococcus granulosus	calpain A	0.0064	0.0251	0.0623
Loa Loa (eye worm)	PAN domain-containing protein	0.0037	0.0029	0.0087
Onchocerca volvulus		0.0037	0.0029	0.0275
Loa Loa (eye worm)	PAN domain-containing protein	0.0037	0.0029	0.0087
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.0087	0.0445	0.1101
Loa Loa (eye worm)	cysteine protease	0.0035	0.0008	0.0025
Schistosoma mansoni	hypothetical protein	0.008	0.0384	0.0384
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0029	0.0087
Echinococcus multilocularis	neuroendocrine convertase 2	0.009	0.0469	0.1162
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0035	0.0008	0.0025
Toxoplasma gondii	microneme protein MIC17B	0.0037	0.0029	0.0079
Echinococcus granulosus	tissue type plasminogen activator	0.008	0.0384	0.0951
Echinococcus multilocularis	cathepsin b	0.0431	0.3306	0.8187
Loa Loa (eye worm)	PAN domain-containing protein	0.0037	0.0029	0.0087
Brugia malayi	PAN domain containing protein	0.0037	0.0029	0.0062
Toxoplasma gondii	microneme protein MIC17A	0.0037	0.0029	0.0079
Loa Loa (eye worm)	cathepsin B	0.0145	0.0924	0.2796
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0008	0.009
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0008	0.009
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0145	0.0924	1
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0225	0.1587	0.1587
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0064	0.0251	0.0251
Schistosoma mansoni	cathepsin F (C01 family)	0.0035	0.0008	0.0008
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0035	0.0008	0.0021
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0431	0.3306	0.3306
Onchocerca volvulus		0.0037	0.0029	0.0275
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0035	0.0008	0.009
Loa Loa (eye worm)	hypothetical protein	0.0431	0.3306	1
Echinococcus granulosus	cathepsin b	0.0431	0.3306	0.8187
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0008	0.009
Onchocerca volvulus		0.0037	0.0029	0.0275
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0008	0.009
Trypanosoma cruzi	hypothetical protein, conserved	0.008	0.0384	0.1139
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0064	0.0251	0.0623
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0035	0.0008	0.009
Giardia lamblia	Cathepsin B precursor	0.0145	0.0924	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0125	0.0755	0.0755
Brugia malayi	PAN domain containing protein	0.0037	0.0029	0.0062
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0431	0.3306	0.3306
Echinococcus multilocularis	cysteine protease	0.0035	0.0008	0.0021
Echinococcus multilocularis	tissue type plasminogen activator	0.008	0.0384	0.0951
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0035	0.0008	0.009
Onchocerca volvulus		0.0037	0.0029	0.0275
Loa Loa (eye worm)	endoprotease bli-4	0.0144	0.0914	0.2764
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0035	0.0008	0.009
Brugia malayi	cathepsin B-like cysteine proteinase	0.0431	0.3306	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0093	0.0283
Toxoplasma gondii	microneme protein MIC17C	0.0037	0.0029	0.0079
Plasmodium falciparum	cysteine repeat modular protein 1	0.008	0.0384	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0145	0.0924	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0035	0.0008	0.0021
Brugia malayi	proprotein convertase 2	0.009	0.0469	0.1398
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0008	0.009
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0061	0.0228	0.0228
Onchocerca volvulus		0.0037	0.0029	0.0275
Toxoplasma gondii	PAN domain-containing protein	0.0037	0.0029	0.0079
Echinococcus multilocularis	calpain A	0.0064	0.0251	0.0623
Loa Loa (eye worm)	TK/ROR protein kinase	0.008	0.0384	0.1161
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0008	0.009
Onchocerca volvulus		0.0038	0.0036	0.0364
Brugia malayi	calpain family protein 1	0.0061	0.0228	0.0667
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0087	0.0445	0.481
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0035	0.0008	0.0021
Loa Loa (eye worm)	calpain family protein 1	0.0061	0.0228	0.069
Brugia malayi	neuroendocrine convertase 1 precursor	0.009	0.0469	0.1398
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0029	0.0087
Onchocerca volvulus		0.0037	0.0029	0.0275
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0064	0.0251	0.0623
Schistosoma mansoni	cathepsin F (C01 family)	0.0035	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0054	0.017	0.0515
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0029	0.0087
Onchocerca volvulus		0.0037	0.0029	0.0275
Onchocerca volvulus		0.0099	0.0543	0.7162
Onchocerca volvulus		0.008	0.0384	0.5029
Brugia malayi	celfurPC protein	0.0116	0.0683	0.2044
Schistosoma mansoni	furin-1 (S08 family)	0.0063	0.0238	0.0238
Brugia malayi	PAN domain containing protein	0.0037	0.0029	0.0062
Echinococcus granulosus	furin	0.0144	0.0914	0.2263
Brugia malayi	endoprotease bli-4 precursor	0.0144	0.0914	0.2746
Brugia malayi	PAN domain containing protein	0.0037	0.0029	0.0062
Brugia malayi	PAN domain containing protein	0.0037	0.0029	0.0062
Brugia malayi	Trypsin family protein	0.0125	0.0755	0.2265
Loa Loa (eye worm)	PAN domain-containing protein	0.0037	0.0029	0.0087
Loa Loa (eye worm)	calpain family protein 1	0.0045	0.0093	0.0283
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0064	0.0251	0.0251
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0914	0.2764
Toxoplasma gondii	PAN domain-containing protein	0.0037	0.0029	0.0079
Brugia malayi	calpain family protein 1	0.0061	0.0228	0.0667
Brugia malayi	Kringle domain containing protein	0.008	0.0384	0.1139
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0755	0.2284
Toxoplasma gondii	PAN domain-containing protein	0.0348	0.2617	1
Onchocerca volvulus		0.0037	0.0029	0.0275
Loa Loa (eye worm)	ctsf protein	0.0035	0.0008	0.0025
Brugia malayi	PAN domain containing protein	0.0037	0.0029	0.0062
Toxoplasma gondii	kringle domain-containing protein	0.008	0.0384	0.144
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0037	0.0029	0.0079
Echinococcus granulosus	neuroendocrine convertase 2	0.009	0.0469	0.1162
Brugia malayi	PAN domain containing protein	0.0037	0.0029	0.0062
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.008	0.0384	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0145	0.0924	0.0924
Onchocerca volvulus		0.0037	0.0029	0.0275
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0035	0.0008	0.0025
Entamoeba histolytica	cysteine protease, putative	0.0035	0.0008	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0035	0.0008	0.5
Echinococcus granulosus	cathepsin l1	0.0035	0.0008	0.0021
Echinococcus multilocularis	cathepsin b	0.0431	0.3306	0.8187
Echinococcus multilocularis	cathepsin L cysteine protease	0.0035	0.0008	0.0021
Echinococcus granulosus	cathepsin b	0.0431	0.3306	0.8187
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0145	0.0924	0.2778
Toxoplasma gondii	microneme protein, putative	0.0037	0.0029	0.0079
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0008	0.009
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0008	0.009
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0145	0.0924	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0087	0.0445	0.481
Loa Loa (eye worm)	PAN domain-containing protein	0.0037	0.0029	0.0087
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0008	0.009
Echinococcus multilocularis	cathepsin L cysteine protease	0.0035	0.0008	0.0021
Echinococcus multilocularis		0.0116	0.0683	0.169
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0037	0.0029	0.0079
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0008	0.009
Brugia malayi	PAN domain containing protein	0.0037	0.0029	0.0062
Toxoplasma gondii	PAN domain-containing protein	0.0348	0.2617	1
Giardia lamblia	Cathepsin B precursor	0.0145	0.0924	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0519	0.4038	1
Echinococcus multilocularis	calpain family protein 1, d	0.0045	0.0093	0.0232
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0519	0.4038	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0035	0.0008	0.009
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0029	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0029	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0036	0.0108
Brugia malayi	Protein kinase domain containing protein	0.008	0.0384	0.1139
Toxoplasma gondii	PAN domain-containing protein	0.0037	0.0029	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0755	0.2284
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0008	0.009
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0008	0.009
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0144	0.0914	0.0914
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0008	0.0025
Leishmania major	hypothetical protein, conserved	0.008	0.0384	0.41
Toxoplasma gondii	hypothetical protein	0.0037	0.0029	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0029	0.0087
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.0087	0.0445	0.1101
Brugia malayi	PAN domain containing protein	0.0037	0.0029	0.0062
Toxoplasma gondii	cathepsin B	0.0145	0.0924	0.3512
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0008	0.009
Onchocerca volvulus		0.0037	0.0029	0.0275
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0035	0.0008	0.009
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0008	0.009

Activities

Activity type	Activity value	Assay description	Source	Reference
T/C (functional)	= 52 %	Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 200 mg/kg i.p.	ChEMBL.	7452684
T/C (functional)	= 52 %	Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 200 mg/kg i.p.	ChEMBL.	7452684
T/C (functional)	= 82 %	Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 100 mg/kg i.p.	ChEMBL.	7452684
T/C (functional)	= 82 %	Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 100 mg/kg i.p.	ChEMBL.	7452684
T/C (functional)	= 105 %	Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 25 mg/kg i.p.	ChEMBL.	7452684
T/C (functional)	= 105 %	Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 25 mg/kg i.p.	ChEMBL.	7452684
T/C (functional)	= 112 %	Antitumor activity against P-388 Leukemia in female BDF1 mice expressed as percent T/C at dose 50 mg/kg	ChEMBL.	7452684
T/C (functional)	= 112 %	Antitumor activity against P-388 Leukemia in female BDF1 mice expressed as percent T/C at dose 50 mg/kg	ChEMBL.	7452684

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: CHEMBL27400

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 33591