TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 339.049 | Formula: C15H10BF4NO3
H donors: 2 H acceptors: 2 LogP: 2.75 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(c(c1)C(=O)Nc1ccc2c(c1)B(O)OC2)C(F)(F)F
InChi: 1S/C15H10BF4NO3/c17-9-2-4-12(15(18,19)20)11(5-9)14(22)21-10-3-1-8-7-24-16(23)13(8)6-10/h1-6,23H,7H2,(H,21,22)
InChiKey: FTQHCTYSXMHPJD-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
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3056	1	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.007	0.0029	0.0029
Giardia lamblia	Hypothetical protein	0.1803	0.5817	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.0029	0.0029
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0106	0.0149	0.0149
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3056	1	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0267	0.0686	1
Loa Loa (eye worm)	hypothetical protein	0.1752	0.5645	0.5579
Toxoplasma gondii	aldehyde dehydrogenase	0.007	0.0029	0.5
Loa Loa (eye worm)	hypothetical protein	0.0173	0.0373	0.0228
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3004	0.9828	0.9827
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0106	0.0149	0.0149
Echinococcus multilocularis	muscleblind protein 1	0.0173	0.0373	0.0373
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0106	0.0149	0.0149
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.3004	0.9828	0.9706
Echinococcus granulosus	muscleblind protein	0.0173	0.0373	0.0373
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3056	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0106	0.0149	0.0149
Giardia lamblia	Hypothetical protein	0.1803	0.5817	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0106	0.0149	0.0149
Schistosoma mansoni	6-phosphofructokinase	0.3056	1	1
Mycobacterium ulcerans	hypothetical protein	0.1803	0.5817	1
Loa Loa (eye worm)	hypothetical protein	0.0173	0.0373	0.0228
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.1803	0.5817	0.5
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.007	0.0029	0.0029
Echinococcus multilocularis	muscleblind protein	0.0173	0.0373	0.0373
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.3004	0.9828	0.9706
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.3056	1	1
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.0029	0.0029
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.3004	0.9828	0.9706
Onchocerca volvulus		0.3056	1	0.5
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3056	1	1
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.1304	0.4149	0.4132
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0106	0.0149	0.0149
Brugia malayi	Muscleblind-like protein	0.0173	0.0373	1
Loa Loa (eye worm)	hypothetical protein	0.3056	1	1
Loa Loa (eye worm)	hypothetical protein	0.3004	0.9828	0.9825
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0106	0.0149	0.0149
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.1803	0.5817	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 8.2 uM	Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced IL-6 release incubated for 15 mins prior to LPS-challenge measured after 24 hrs by HTRF assay	ChEMBL.	24075731
IC50 (functional)	= 28 uM	Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TNFalpha release incubated for 15 mins prior to LPS-challenge measured after 24 hrs by HTRF assay	ChEMBL.	24075731

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	24075731

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: CHEMBL2441393

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1791105