TDR Targets

Basic information

Technical information

TDR Targets ID: 1233773
Name: 5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzo furan-2-carboxamide
MW: 334.165 | Formula: C15H12BrNO3
H donors: 1 H acceptors: 1 LogP: 3.59 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc2c(c1)c(C)c(o2)C(=O)NCc1ccco1
InChi: 1S/C15H12BrNO3/c1-9-12-7-10(16)4-5-13(12)20-14(9)15(18)17-8-11-3-2-6-19-11/h2-7H,8H2,1H3,(H,17,18)
InChiKey: DRXRCLHQSFRYQP-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

5-bromo-N-(2-furylmethyl)-3-methyl-benzofuran-2-carboxamide
5-bromo-N-(2-furylmethyl)-3-methyl-2-benzofurancarboxamide
ZINC03378263

Targets

Known targets for this compound

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

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
Leishmania major	cathepsin L-like protease	0.0126	0.2924	1
Brugia malayi	Cathepsin L-like precursor	0.0126	0.2924	0.2924
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.2924	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.2924	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.2924	1
Loa Loa (eye worm)	fibroinase	0.0126	0.2924	0.2198
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0126	0.2924	0.2924
Onchocerca volvulus	Cathepsin L homolog	0.0126	0.2924	1
Onchocerca volvulus		0.0126	0.2924	1
Entamoeba histolytica	cysteine proteinase, putative	0.0087	0.093	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.2924	1
Leishmania major	cathepsin L-like protease	0.0126	0.2924	1
Giardia lamblia	Cathepsin B precursor	0.0103	0.1716	0.5
Echinococcus multilocularis	cathepsin b	0.0266	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0126	0.2924	0.2924
Loa Loa (eye worm)	cysteine protease	0.0126	0.2924	0.2198
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0126	0.2924	0.2924
Echinococcus multilocularis	cathepsin L cysteine protease	0.0126	0.2924	0.2924
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.2924	1
Entamoeba histolytica	cysteine proteinase, putative	0.0126	0.2924	1
Plasmodium vivax	vivapain-2	0.0126	0.2924	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0126	0.2924	0.2924
Entamoeba histolytica	cysteine proteinase, putative	0.0126	0.2924	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.2924	1
Leishmania major	cathepsin L-like protease	0.0126	0.2924	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0087	0.093	0.093
Onchocerca volvulus		0.0126	0.2924	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.2924	1
Echinococcus granulosus	cathepsin l1	0.0087	0.093	0.093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.2924	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.2924	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.2924	1
Brugia malayi	Cathepsin L-like precursor	0.0126	0.2924	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.2924	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0087	0.093	0.093
Brugia malayi	Papain family cysteine protease containing protein	0.0126	0.2924	0.2924
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.2924	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0087	0.093	0.3182
Leishmania major	cathepsin L-like protease	0.0126	0.2924	1
Onchocerca volvulus		0.0126	0.2924	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0103	0.1716	0.5868
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0126	0.2924	0.2198
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.2924	1
Onchocerca volvulus		0.0126	0.2924	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0126	0.2924	0.2924
Onchocerca volvulus		0.0126	0.2924	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.2924	1
Brugia malayi	Cathepsin L-like precursor	0.0126	0.2924	0.2924
Leishmania major	cathepsin L-like protease	0.0126	0.2924	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0126	0.2924	0.2924
Loa Loa (eye worm)	cathepsin B	0.0103	0.1716	0.0866
Leishmania major	cathepsin L-like protease	0.0126	0.2924	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0126	0.2924	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.2924	1
Brugia malayi	Cathepsin L-like precursor	0.0087	0.093	0.093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.2924	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.2924	1
Brugia malayi	Cathepsin L-like precursor	0.0126	0.2924	0.2924
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.2924	1
Toxoplasma gondii	cathepsin CPL	0.0126	0.2924	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0126	0.2924	1
Brugia malayi	cathepsin L-like precursor	0.0087	0.093	0.093
Trypanosoma cruzi	cysteine peptidase, putative	0.0126	0.2924	0.2924
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.2924	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.2924	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.2924	1
Onchocerca volvulus		0.0126	0.2924	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0266	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0103	0.1716	0.1716
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.2924	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0126	0.2924	0.2198
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.2924	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.2924	1
Brugia malayi	Cathepsin L-like precursor	0.0126	0.2924	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.2924	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.2924	1
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2924	0.2198
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0103	0.1716	0.1716
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0126	0.2924	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0087	0.093	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.2924	1
Brugia malayi	Cathepsin L-like precursor	0.0126	0.2924	0.2924
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.2924	1
Leishmania major	cathepsin L-like protease	0.0126	0.2924	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0126	0.2924	0.2924
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0126	0.2924	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.2924	1
Onchocerca volvulus	Cathepsin L homolog	0.0126	0.2924	1
Giardia lamblia	Cathepsin B precursor	0.0103	0.1716	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0126	0.2924	0.2924
Schistosoma mansoni	cathepsin F (C01 family)	0.0126	0.2924	0.2924
Echinococcus multilocularis	cysteine protease	0.0126	0.2924	0.2924
Giardia lamblia	Cathepsin B precursor	0.0103	0.1716	0.5
Leishmania major	cathepsin L-like protease	0.0126	0.2924	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.2924	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0266	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0103	0.1716	0.5868
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0126	0.2924	0.2924
Onchocerca volvulus	Cathepsin F homolog	0.0126	0.2924	1
Echinococcus granulosus	cathepsin l1	0.0126	0.2924	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.2924	1
Onchocerca volvulus		0.0126	0.2924	1
Loa Loa (eye worm)	ctsf protein	0.0126	0.2924	0.2198
Brugia malayi	Cathepsin L-like precursor	0.0087	0.093	0.093
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0266	1	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0266	1	1
Plasmodium vivax	vivapain-2	0.0126	0.2924	1
Loa Loa (eye worm)	hypothetical protein	0.0266	1	1
Echinococcus granulosus	cathepsin b	0.0266	1	1
Echinococcus granulosus	cathepsin b	0.0266	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.2924	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0266	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0126	0.2924	0.2924
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0126	0.2924	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0126	0.2924	1
Echinococcus multilocularis	cathepsin b	0.0266	1	1
Leishmania major	cysteine peptidase A (CPA)	0.0126	0.2924	1
Entamoeba histolytica	cysteine protease, putative	0.0126	0.2924	1
Echinococcus multilocularis	cysteine protease	0.0126	0.2924	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.2924	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0087	0.093	0.093

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.1651 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	4.6109 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	ChEMBL.	No reference
Potency (functional)	29.081 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	30.1313 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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
Potency (functional)	= 100 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1316320

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 1233773