TDR Targets

Basic information

Technical information

TDR Targets ID: 771778
Name: 3-(4-fluorophenyl)-3-(furan-2-carbonylamino)p ropanoic acid
MW: 277.248 | Formula: C14H12FNO4
H donors: 2 H acceptors: 3 LogP: 1.72 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CC(c1ccc(cc1)F)NC(=O)c1ccco1
InChi: 1S/C14H12FNO4/c15-10-5-3-9(4-6-10)11(8-13(17)18)16-14(19)12-2-1-7-20-12/h1-7,11H,8H2,(H,16,19)(H,17,18)
InChiKey: VJPARMNENBJWEO-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

3-(4-fluorophenyl)-3-[(2-furyl-oxomethyl)amino]propanoic acid
3-(4-fluorophenyl)-3-(furan-2-carbonylamino)propionic acid
3-(4-fluorophenyl)-3-(furan-2-ylcarbonylamino)propanoic acid
SBB012192
EU-0080858
3-(4-Fluoro-phenyl)-3-[(furan-2-carbonyl)-amino]-propionic acid
BAS 00866796
Oprea1_058198
Oprea1_793590

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
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.2504	0.3025
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.2504	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.2504	0.5
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0032	0.2504	0.5
Echinococcus multilocularis	aldo keto reductase	0.0032	0.2504	0.3025
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.7509	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.2504	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.3611	0.3902
Giardia lamblia	Aldose reductase	0.0032	0.2504	0.5
Onchocerca volvulus		0.0032	0.2504	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.2504	0.5
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.2504	0.3025
Echinococcus granulosus	aldo keto reductase	0.0032	0.2504	0.3025
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.2504	0.5
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.7509	1
Onchocerca volvulus		0.0032	0.2504	0.5
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.2504	0.142
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0032	0.2504	0.5
Onchocerca volvulus		0.0032	0.2504	0.5
Loa Loa (eye worm)	oxidoreductase	0.0032	0.2504	0.2706
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.2504	0.3025
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.2504	0.5
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.2504	0.3025
Schistosoma mansoni	hypothetical protein	0.0036	0.3194	0.3753
Loa Loa (eye worm)	oxidoreductase	0.0032	0.2504	0.2706
Schistosoma mansoni	aldo-keto reductase	0.0032	0.2504	0.2848
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0518	0.0559
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.3186	0.3975
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.2504	0.5
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.2504	0.142
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.2504	0.5
Onchocerca volvulus		0.0032	0.2504	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.4024	0.4348
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.7509	0.9414
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0032	0.2504	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.2504	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.3194	0.3986
Loa Loa (eye worm)	hypothetical protein	0.0032	0.2504	0.2706
Schistosoma mansoni	pol-related	0.0032	0.2504	0.2848
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.2504	0.3025
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.2504	0.3025
Loa Loa (eye worm)	oxidoreductase	0.0032	0.2504	0.2706
Brugia malayi	hypothetical protein	0.0036	0.3194	0.2209
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.2504	0.3025
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.3194	0.3986
Trypanosoma brucei	prostaglandin f synthase	0.0032	0.2504	0.5
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.7509	1
Loa Loa (eye worm)	oxidoreductase	0.0032	0.2504	0.2706
Echinococcus granulosus	hypothetical protein	0.0032	0.2504	0.3025
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.2504	0.3025
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0059	0.7332	0.9752
Trichomonas vaginalis	aldo/keto reductase, putative	0.0032	0.2504	0.5
Echinococcus granulosus	aldo keto reductase	0.0032	0.2504	0.3025
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.3186	0.3975
Brugia malayi	Bromodomain containing protein	0.0038	0.3599	0.2673
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.2504	0.3025
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.2504	0.3025
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.2504	0.3025
Loa Loa (eye worm)	hypothetical protein	0.0042	0.4357	0.4709
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0851	0.0679
Entamoeba histolytica	hypothetical protein	0.0036	0.3194	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.2504	0.3025
Echinococcus multilocularis	aldo keto reductase	0.0032	0.2504	0.3025
Echinococcus granulosus	aldehyde reductase	0.0023	0.0886	0.0771
Entamoeba histolytica	hypothetical protein	0.0036	0.3194	1
Schistosoma mansoni	hypothetical protein	0.0021	0.0518	0.0242
Echinococcus granulosus	aldo keto reductase	0.0032	0.2504	0.3025
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.7509	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.2504	0.5
Echinococcus multilocularis	aldehyde reductase	0.0023	0.0886	0.0771
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.2504	0.142
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.2504	0.3025
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.3194	0.3753
Trichomonas vaginalis	aldo/keto reductase, putative	0.0032	0.2504	0.5
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0851	0.0721
Trypanosoma brucei	aldo-keto reductase, putative	0.0032	0.2504	0.5
Onchocerca volvulus		0.0032	0.2504	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.7509	0.9414
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.2504	0.3025
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.7509	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.2504	0.142
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.2504	0.3025
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.2504	0.3025
Loa Loa (eye worm)	hypothetical protein	0.007	0.9254	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0032	0.2504	0.5
Giardia lamblia	Aldose reductase	0.0032	0.2504	0.5
Trypanosoma cruzi	aldo-keto reductase	0.0032	0.2504	0.5
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.7509	1
Onchocerca volvulus		0.0032	0.2504	0.5
Schistosoma mansoni	aldo-keto reductase	0.0032	0.2504	0.2848
Echinococcus multilocularis	aldo keto reductase	0.0032	0.2504	0.3025
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.2504	0.3025
Entamoeba histolytica	hypothetical protein	0.0036	0.3194	1
Schistosoma mansoni	bromodomain containing protein	0.0063	0.7956	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.7509	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.2504	0.3025
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.2504	0.3025
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.2504	0.5
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0851	0.0721
Trichomonas vaginalis	aldo-keto reductase, putative	0.0032	0.2504	0.5
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.7509	1
Entamoeba histolytica	hypothetical protein	0.0036	0.3194	1
Loa Loa (eye worm)	oxidoreductase	0.0032	0.2504	0.2706
Trichomonas vaginalis	aldo/keto reductase, putative	0.0032	0.2504	0.5
Echinococcus multilocularis	aldo keto reductase	0.0032	0.2504	0.3025
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0032	0.2504	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.2504	0.3025
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0059	0.7332	0.9752

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 771778