TDR Targets

Basic information

Technical information

TDR Targets ID: 1395606
Name: N-(furan-2-ylmethyl)-2-(5-furan-2-yl-3-methyl pyrazol-1-yl)acetamide
MW: 285.298 | Formula: C15H15N3O3
H donors: 1 H acceptors: 2 LogP: 1.44 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Cn1nc(cc1c1ccco1)C)NCc1ccco1
InChi: 1S/C15H15N3O3/c1-11-8-13(14-5-3-7-21-14)18(17-11)10-15(19)16-9-12-4-2-6-20-12/h2-8H,9-10H2,1H3,(H,16,19)
InChiKey: OQXQNMLWXANSGB-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

N-(2-furylmethyl)-2-[5-(2-furyl)-3-methyl-pyrazol-1-yl]acetamide
N-(2-furylmethyl)-2-[5-(2-furyl)-3-methyl-1-pyrazolyl]acetamide
N-(furan-2-ylmethyl)-2-(5-furan-2-yl-3-methyl-pyrazol-1-yl)ethanamide
MLS000119665
SMR000096586

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
Brugia malayi	TAR-binding protein	0.0061	0.3346	0.3346
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.3346	0.3346
Schistosoma mansoni	tyrosine kinase	0.0077	0.4582	0.4582
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.7692	0.7692
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.2299	0.2299
Schistosoma mansoni	tyrosine kinase	0.0077	0.4582	0.4582
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.3346	0.3346
Loa Loa (eye worm)	nuclear hormone receptor	0.0096	0.6143	0.6143
Schistosoma mansoni	tyrosine kinase	0.0046	0.2129	0.2129
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.3346	0.3346
Schistosoma mansoni	tyrosine kinase	0.0046	0.2129	0.2129
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.3346	0.3346
Echinococcus multilocularis		0.0045	0.2013	0.2013
Onchocerca volvulus		0.002	0	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.1223	0.5
Onchocerca volvulus	Bile acid receptor homolog	0.002	0	0.5
Echinococcus multilocularis	epidermal growth factor receptor	0.0078	0.4647	0.4647
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.2299	0.2299
Schistosoma mansoni	tyrosine kinase	0.0078	0.4647	0.4647
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0046	0.2129	0.2129
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.1223	0.1223
Echinococcus granulosus	tar DNA binding protein	0.0061	0.3346	0.3346
Echinococcus multilocularis	insulin receptor	0.0046	0.2129	0.2129
Entamoeba histolytica	hypothetical protein	0.0035	0.1223	0.5
Schistosoma mansoni	tyrosine kinase	0.0077	0.4582	0.4582
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.2299	0.2299
Schistosoma mansoni	hypothetical protein	0.0033	0.1075	0.1075
Schistosoma mansoni	tyrosine kinase	0.0144	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0107	0.6971	0.6971
Loa Loa (eye worm)	TK/INSR protein kinase	0.0046	0.2129	0.2129
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.002	0	0.5
Echinococcus multilocularis	epidermal growth factor receptor	0.0144	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.1075	0.1075
Loa Loa (eye worm)	RNA binding protein	0.0061	0.3346	0.3346
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.7692	0.7692
Brugia malayi	Protein kinase domain containing protein	0.0046	0.2129	0.2129
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.3346	0.3346
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.3346	0.3346
Loa Loa (eye worm)	hypothetical protein	0.0097	0.6231	0.6231
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.3346	0.3346
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.3346	0.3346
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0046	0.2129	0.2129
Brugia malayi	hypothetical protein	0.0035	0.1223	0.1223
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0107	0.6971	0.6971
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.1223	0.1223
Brugia malayi	MH2 domain containing protein	0.0116	0.7692	0.7692
Echinococcus granulosus	insulin receptor	0.0046	0.2129	0.2129
Echinococcus granulosus	epidermal growth factor receptor	0.0144	1	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.2299	0.2299
Entamoeba histolytica	hypothetical protein	0.0035	0.1223	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.1223	0.5
Echinococcus granulosus	epidermal growth factor receptor	0.0078	0.4647	0.4647
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1075	0.1075
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0144	1	1
Schistosoma mansoni	tyrosine kinase	0.0078	0.4647	0.4647
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.1223	0.1223
Schistosoma mansoni	hypothetical protein	0.0035	0.1223	0.1223
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0107	0.6971	0.6971
Brugia malayi	RNA binding protein	0.0061	0.3346	0.3346
Onchocerca volvulus	Protein ultraspiracle homolog	0.002	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.3346	0.3346
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0078	0.4647	0.4647

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	8.2753 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)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	50.1187 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)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1518875

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1395606