TDR Targets

Basic information

Technical information

TDR Targets ID: 1366296
Name: 7-fluoro-N-(furan-2-ylmethyl)-3-methyl-1-benz ofuran-2-carboxamide
MW: 273.259 | Formula: C15H12FNO3
H donors: 1 H acceptors: 1 LogP: 3 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1oc2c(c1C)cccc2F)NCc1ccco1
InChi: 1S/C15H12FNO3/c1-9-11-5-2-6-12(16)14(11)20-13(9)15(18)17-8-10-4-3-7-19-10/h2-7H,8H2,1H3,(H,17,18)
InChiKey: MYVYPOWQVMKICO-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

7-fluoro-N-(2-furylmethyl)-3-methyl-benzofuran-2-carboxamide
7-fluoro-N-(2-furylmethyl)-3-methyl-2-benzofurancarboxamide
ZINC07752533
T5601638

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

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
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0063	0.0849	0.1134
Trichomonas vaginalis	aldo-keto reductase, putative	0.0219	0.7481	1
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0063	0.0849	0.1134
Echinococcus granulosus	aldo keto reductase	0.0219	0.7481	1
Onchocerca volvulus		0.0096	0.2232	0.2983
Echinococcus multilocularis	plexin a4	0.0113	0.298	0.3984
Trichomonas vaginalis	conserved hypothetical protein	0.0063	0.0849	0.1134
Trichomonas vaginalis	aldo-keto reductase, putative	0.0219	0.7481	1
Leishmania major	prostaglandin f synthase, putative	0.0219	0.7481	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0219	0.7481	1
Echinococcus granulosus	aldo keto reductase	0.0219	0.7481	1
Schistosoma mansoni	plexin	0.0096	0.2232	0.2983
Onchocerca volvulus		0.0219	0.7481	1
Loa Loa (eye worm)	plexin A	0.0113	0.298	0.3984
Mycobacterium leprae	Possible oxidoreductase	0.0063	0.0849	0.1134
Loa Loa (eye worm)	oxidoreductase	0.0219	0.7481	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0219	0.7481	1
Brugia malayi	plexin A	0.0113	0.298	0.3984
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0063	0.0849	0.1134
Trypanosoma cruzi	aldo-keto reductase	0.0219	0.7481	1
Onchocerca volvulus		0.0219	0.7481	1
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0063	0.0849	0.1134
Loa Loa (eye worm)	oxidoreductase	0.0219	0.7481	1
Giardia lamblia	Aldose reductase	0.0219	0.7481	0.5
Brugia malayi	Plexin repeat family protein	0.0096	0.2232	0.2983
Echinococcus granulosus	voltage gated potassium channel subunit	0.0063	0.0849	0.1134
Giardia lamblia	Aldose reductase	0.0219	0.7481	0.5
Trypanosoma brucei	aldo/keto reductase, putative	0.0063	0.0849	0.1134
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0219	0.7481	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0219	0.7481	1
Echinococcus granulosus	aldo keto reductase	0.0219	0.7481	1
Toxoplasma gondii	aldose reductase, putative	0.0219	0.7481	1
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0063	0.0849	0.1134
Trichomonas vaginalis	aldo-keto reductase, putative	0.0219	0.7481	1
Loa Loa (eye worm)	hypothetical protein	0.0219	0.7481	1
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0063	0.0849	0.1134
Entamoeba histolytica	aldose reductase, putative	0.0219	0.7481	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0219	0.7481	0.7481
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0219	0.7481	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0219	0.7481	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0219	0.7481	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0219	0.7481	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0219	0.7481	1
Schistosoma mansoni	plexin	0.0056	0.0524	0.07
Schistosoma mansoni	pol-related	0.0219	0.7481	1
Schistosoma mansoni	hypothetical protein	0.0105	0.2644	0.3534
Plasmodium falciparum	aldo-keto reductase, putative	0.0063	0.0849	0.5
Loa Loa (eye worm)	oxidoreductase	0.0219	0.7481	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0219	0.7481	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0219	0.7481	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0219	0.7481	1
Echinococcus granulosus	plexin a4	0.0113	0.298	0.3984
Echinococcus multilocularis	aldo keto reductase	0.0219	0.7481	1
Echinococcus granulosus	aldehyde reductase	0.0155	0.4776	0.6385
Loa Loa (eye worm)	oxidoreductase	0.0219	0.7481	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0063	0.0849	0.1134
Trichomonas vaginalis	aldo-keto reductase, putative	0.0219	0.7481	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0063	0.0849	0.1134
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0219	0.7481	1
Onchocerca volvulus		0.0063	0.0849	0.1134
Trypanosoma cruzi	aldo/keto reductase, putative	0.0219	0.7481	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0219	0.7481	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0219	0.7481	1
Entamoeba histolytica	aldose reductase, putative	0.0219	0.7481	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0219	0.7481	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0219	0.7481	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0219	0.7481	1
Leishmania major	aldo-keto reductase-like protein	0.0219	0.7481	1
Onchocerca volvulus		0.0219	0.7481	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0063	0.0849	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0219	0.7481	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0219	0.7481	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0219	0.7481	1
Plasmodium vivax	aldehyde reductase, putative	0.0063	0.0849	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0219	0.7481	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0219	0.7481	1
Toxoplasma gondii	aldo-keto reductase	0.0063	0.0849	0.1134
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0219	0.7481	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.2232	0.2983
Onchocerca volvulus		0.0219	0.7481	1
Mycobacterium ulcerans	hypothetical protein	0.0063	0.0849	0.1134
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0219	0.7481	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0219	0.7481	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0219	0.7481	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0219	0.7481	1
Schistosoma mansoni	aldo-keto reductase	0.0219	0.7481	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0219	0.7481	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0219	0.7481	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0219	0.7481	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0219	0.7481	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0219	0.7481	1
Mycobacterium ulcerans	oxidoreductase	0.0219	0.7481	1
Entamoeba histolytica	aldose reductase, putative	0.0219	0.7481	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0524	0.07
Echinococcus multilocularis	aldo keto reductase	0.0219	0.7481	1
Echinococcus multilocularis	aldehyde reductase	0.0155	0.4776	0.6385
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0219	0.7481	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0219	0.7481	1
Brugia malayi	NADH-dependent xylose reductase	0.0063	0.0849	0.1134
Trypanosoma brucei	RNA helicase, putative	0.0105	0.2644	0.3534
Schistosoma mansoni	hypothetical protein	0.0056	0.0524	0.07
Loa Loa (eye worm)	oxidoreductase	0.0219	0.7481	1
Mycobacterium tuberculosis	Conserved protein	0.0063	0.0849	0.0849
Trypanosoma brucei	prostaglandin f synthase	0.0219	0.7481	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0219	0.7481	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0063	0.0849	0.1134
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0219	0.7481	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0219	0.7481	1
Echinococcus multilocularis	aldo keto reductase	0.0219	0.7481	1
Mycobacterium leprae	Conserved hypothetical protein	0.0155	0.4776	0.6385
Echinococcus multilocularis	aldo keto reductase	0.0219	0.7481	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0063	0.0849	0.1134
Onchocerca volvulus		0.0219	0.7481	1
Schistosoma mansoni	potassium channel beta	0.0063	0.0849	0.1134
Trichomonas vaginalis	aldo-keto reductase, putative	0.0063	0.0849	0.1134
Schistosoma mansoni	aldo-keto reductase	0.0219	0.7481	1
Plasmodium falciparum	aldehyde reductase, putative	0.0063	0.0849	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0219	0.7481	1
Onchocerca volvulus		0.0219	0.7481	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0219	0.7481	1
Echinococcus granulosus	hypothetical protein	0.0219	0.7481	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0219	0.7481	1
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0063	0.0849	0.1134
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0219	0.7481	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.7079 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	1.5849 uM	PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
Plasmodium falciparum	ChEMBL23

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: CHEMBL1493521

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 1366296