TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 260.219 | Formula: C10H13FN2O5
H donors: 3 H acceptors: 4 LogP: -1.09 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OCC1OC(C(C1O)(C)F)n1ccc(=O)[nH]c1=O
InChi: 1S/C10H13FN2O5/c1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17/h2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17)
InChiKey: ARKKGZQTGXJVKW-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
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0223	0.0115
Brugia malayi	RNA, U transporter 1	0.0091	0.1302	0.1245
Loa Loa (eye worm)	MH2 domain-containing protein	0.0042	0.0474	0.0389
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.01	0.0035
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0213	0.9163
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.01	0.0013
Brugia malayi	Smad1	0.0042	0.0474	0.0412
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.01	0.3183
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0223	0.0115
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.01	0.0035
Toxoplasma gondii	TIM10 family protein, putative	0.0048	0.0574	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0314	1
Trichomonas vaginalis	ran, putative	0.0024	0.0172	0.6437
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0172	0.5898
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0213	1
Brugia malayi	MH1 domain containing protein	0.0042	0.0474	0.0412
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0172	0.0102
Onchocerca volvulus	Mothers against decapentaplegic homolog	0.0019	0.0089	0.5
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0042	0.0474	0.047
Leishmania major	GTP-binding protein, putative	0.0024	0.0172	0.5898
Brugia malayi	MH2 domain containing protein	0.0019	0.0089	0.0024
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0314	0.0274
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0042	0.0474	0.047
Echinococcus multilocularis	geminin	0.051	0.8285	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.01	0.3183
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0024	0.0172	1
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0314	0.0323
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0042	0.0474	0.047
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0223	0.7099
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.01	0.3183
Echinococcus granulosus	expressed protein	0.0048	0.0574	0.0592
Schistosoma mansoni	smad1 5 8 and	0.0042	0.0474	0.047
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.01	0.0013
Treponema pallidum	hypothetical protein	0.0286	0.4554	0.5
Loa Loa (eye worm)	transport to inner mitochondrial membrane family member	0.0048	0.0574	0.049
Echinococcus granulosus	snurportin 1	0.0343	0.55	0.6602
Loa Loa (eye worm)	MH2 domain-containing protein	0.0612	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0223	0.0135
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0172	0.5898
Loa Loa (eye worm)	transcription factor SMAD2	0.0612	1	1
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0024	0.0172	0.5493
Schistosoma mansoni	hypothetical protein	0.051	0.8285	1
Schistosoma mansoni	hypothetical protein	0.051	0.8285	1
Echinococcus granulosus	geminin	0.051	0.8285	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.01	0.3183
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0343	0.55	0.5459
Toxoplasma gondii	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0048	0.0574	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.01	0.3183
Schistosoma mansoni	hypothetical protein	0.0343	0.55	0.6602
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.01	0.3183
Brugia malayi	MH2 domain containing protein	0.0042	0.0474	0.0412
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0048	0.0574	0.0918
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.0011
Schistosoma mansoni	smad	0.0042	0.0474	0.047
Echinococcus granulosus	dna polymerase kappa	0.0019	0.01	0.0013
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0314	0.0274
Schistosoma mansoni	DNA polymerase eta	0.0019	0.01	0.0013
Loa Loa (eye worm)	MH1 domain-containing protein	0.0042	0.0474	0.0389
Brugia malayi	Importin beta-1 subunit	0.0032	0.0314	0.025
Trypanosoma brucei	unspecified product	0.0019	0.01	0.3183
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0314	0.352
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0048	0.0574	0.0918
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0286	0.4554	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0163	0.0075
Echinococcus multilocularis	expressed protein	0.0048	0.0574	0.0592
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.01	0.0013
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.01	0.0013
Brugia malayi	Mitochondrial import inner membrane translocase subunit TIM10	0.0048	0.0574	0.0513
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0286	0.4554	1
Leishmania major	hypothetical protein, conserved	0.0027	0.0223	1
Brugia malayi	MH2 domain containing protein	0.0042	0.0474	0.0412
Brugia malayi	hypothetical protein	0.0027	0.0223	0.0159
Echinococcus multilocularis	snurportin 1	0.0343	0.55	0.6602
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.01	0.3183
Entamoeba histolytica	hypothetical protein	0.0026	0.0213	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0314	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0042	0.0474	0.047
Schistosoma mansoni	smad1 5 8 and	0.0042	0.0474	0.047
Schistosoma mansoni	smad1 5 8 and	0.0042	0.0474	0.047
Brugia malayi	MH1 domain containing protein	0.0023	0.0163	0.0099
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0286	0.4554	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0223	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.01	0.3183
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0172	0.0102
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0024	0.0172	0.0084
Echinococcus granulosus	smad	0.0042	0.0474	0.047
Plasmodium falciparum	importin beta, putative	0.0032	0.0314	0.0323
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.01	0.3183
Loa Loa (eye worm)	Smad1	0.0042	0.0474	0.0389
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0223	0.0115
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.01	0.3183
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.01	0.3183
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0223	1
Schistosoma mansoni	Smad4	0.0042	0.0474	0.047
Brugia malayi	MH1 domain containing protein	0.0042	0.0474	0.0412
Schistosoma mansoni	importin beta-1	0.0032	0.0314	0.0274
Schistosoma mansoni	ran	0.0024	0.0172	0.0102
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.01	0.0013
Schistosoma mansoni	mitochondrial import inner membrane translocase subunit tim10	0.0048	0.0574	0.0592
Echinococcus multilocularis	Smad4	0.0042	0.0474	0.047
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.01	0.3183
Entamoeba histolytica	Ran family GTPase	0.0024	0.0172	0.6437
Mycobacterium leprae	PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC	0.0286	0.4554	0.5
Loa Loa (eye worm)	nuclear factor I	0.0023	0.0163	0.0075
Echinococcus multilocularis	smad	0.0042	0.0474	0.047
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0213	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.01	0.0011
Echinococcus multilocularis	dna polymerase eta	0.0019	0.01	0.0013
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0223	0.1254
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0213	0.9163
Brugia malayi	mothers against decapentaplegic homolog 3	0.0019	0.0089	0.0024
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.01	0.3183
Schistosoma mansoni	ran	0.0024	0.0172	0.0102
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0024	0.0172	0.0108
Brugia malayi	MH1 domain containing protein	0.0023	0.0163	0.0099
Echinococcus granulosus	dna polymerase eta	0.0019	0.01	0.0013
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0213	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0042	0.0474	0.047
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.01	0.3183
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0314	0.0227
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0286	0.4554	1
Echinococcus granulosus	Smad4	0.0042	0.0474	0.047

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	> 100 uM	Cytotoxic concentration against bovine viral diarrhea virus (BVDV) in MDBK cells	ChEMBL.	16107149
CC50 (functional)	> 100 uM	Cytotoxic concentration of the compound against HCV replication RNA levels in Huh7 cells determined by HCV replicon assay	ChEMBL.	16107149
EC90 (functional)	> 100 uM	Effective concentration required to reduce cytopathic effects caused by bovine viral diarrhea virus (BVDV) in MDBK cells by 90%	ChEMBL.	16107149
EC90 (functional)	> 100 uM	Effective concentration required to reduce HCV replication RNA levels in Huh7 cells by 90% determined by HCV replicon assay	ChEMBL.	16107149

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: 419240

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 333452