TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 336.265 | Formula: C16H11F3N2O3
H donors: 0 H acceptors: 1 LogP: 4.71 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccccc1c1on(c(=O)n1)c1ccc(cc1)OC(F)(F)F
InChi: 1S/C16H11F3N2O3/c1-10-4-2-3-5-13(10)14-20-15(22)21(24-14)11-6-8-12(9-7-11)23-16(17,18)19/h2-9H,1H3
InChiKey: NSQJSVSUIRRDCR-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
Echinococcus multilocularis	geminin	0.0121	1	1
Trypanosoma cruzi	Heat shock protein 83, putative	0.0023	0.084	0.1301
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0019	0.0398	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.1279	0.3365
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Entamoeba histolytica	hypothetical protein	0.0055	0.38	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3921	1
Loa Loa (eye worm)	ICD-1 protein	0.0055	0.38	0.9624
Onchocerca volvulus	Peroxidase homolog	0.0056	0.3921	1
Loa Loa (eye worm)	heat shock protein 90	0.0023	0.084	0.0393
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3921	1
Trichomonas vaginalis	heat shock protein, putative	0.0019	0.0398	0.1046
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.38	1
Schistosoma mansoni	hypothetical protein	0.0029	0.1391	0.0601
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0516	0.1358
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Onchocerca volvulus		0.0056	0.3921	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0023	0.084	0.1301
Trypanosoma cruzi	heat shock protein 85, putative	0.0023	0.084	0.1301
Echinococcus granulosus	chromobox protein 1	0.005	0.3326	0.305
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Trichomonas vaginalis	heat shock protein, putative	0.0019	0.0398	0.1046
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0019	0.0398	0.5
Loa Loa (eye worm)	endoplasmin	0.0023	0.084	0.0393
Onchocerca volvulus		0.0056	0.3921	1
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Onchocerca volvulus	Peroxidasin homolog	0.0056	0.3921	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.003	0.1477	0.2379
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Echinococcus granulosus	peroxidasin	0.0056	0.3921	0.3669
Schistosoma mansoni	chromobox protein	0.005	0.3326	0.2714
Echinococcus multilocularis	chromobox protein 1	0.005	0.3326	0.305
Loa Loa (eye worm)	hypothetical protein	0.0043	0.2652	0.6043
Echinococcus multilocularis	heat shock protein	0.0023	0.084	0.0461
Brugia malayi	Animal haem peroxidase family protein	0.0056	0.3921	1
Echinococcus granulosus	heat shock protein 90	0.0023	0.084	0.0461
Treponema pallidum	heat shock protein 90	0.0019	0.0398	0.5
Onchocerca volvulus		0.0056	0.3921	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0023	0.084	0.1301
Entamoeba histolytica	transcription factor BTF3, putative	0.0055	0.38	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0023	0.084	0.1301
Brugia malayi	Blistered cuticle protein 3	0.0056	0.3921	1
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.38	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3921	1
Onchocerca volvulus	Chorion peroxidase homolog	0.0056	0.3921	1
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0028	0.1279	0.176
Trichomonas vaginalis	chromobox protein, putative	0.003	0.1477	0.3887
Plasmodium falciparum	basic transcription factor 3b, putative	0.0055	0.38	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0043	0.2652	0.6043
Loa Loa (eye worm)	heterochromatin protein 1	0.005	0.3326	0.8147
Echinococcus multilocularis	heat shock protein 90	0.0023	0.084	0.0461
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3921	1
Loa Loa (eye worm)	animal heme peroxidase	0.0056	0.3921	1
Echinococcus multilocularis	chromobox protein 1	0.005	0.3326	0.305
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3921	1
Schistosoma mansoni	transcription factor btf3	0.0055	0.38	0.3231
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Echinococcus granulosus	chromobox protein 1	0.005	0.3326	0.305
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Brugia malayi	beta-NAC-like protein	0.0055	0.38	0.9609
Trichomonas vaginalis	chromobox protein, putative	0.005	0.3326	0.8754
Brugia malayi	Heterochromatin protein 1	0.005	0.3326	0.8071
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0043	0.2652	0.5881
Schistosoma mansoni	hypothetical protein	0.0121	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0056	0.3921	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3921	1
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.1279	0.3365
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0019	0.0398	0.5
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3921	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0023	0.084	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3921	1
Loa Loa (eye worm)	animal heme peroxidase	0.0056	0.3921	1
Plasmodium vivax	basic transcription factor 3b, putative	0.0055	0.38	1
Toxoplasma gondii	NAC domain-containing protein	0.0055	0.38	1
Trichomonas vaginalis	chromobox protein, putative	0.005	0.3326	0.8754
Brugia malayi	chromobox protein homolog 3	0.0028	0.1279	0.1423
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1279	0.176
Onchocerca volvulus	Dual oxidase homolog	0.0056	0.3921	1
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0516	0.1358
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.38	1
Trichomonas vaginalis	heat shock protein, putative	0.0019	0.0398	0.1046
Echinococcus multilocularis	peroxidasin	0.0056	0.3921	0.3669
Brugia malayi	Peroxidasin	0.0056	0.3921	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3921	1
Onchocerca volvulus	Peroxidase homolog	0.0056	0.3921	1
Mycobacterium ulcerans	heat shock protein 90	0.0019	0.0398	0.5
Brugia malayi	hypothetical protein	0.0056	0.3921	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3921	1
Echinococcus granulosus	heat shock protein	0.0023	0.084	0.0461
Loa Loa (eye worm)	animal heme peroxidase	0.0056	0.3921	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0029	0.1391	0.1787
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3921	1
Loa Loa (eye worm)	animal heme peroxidase	0.0056	0.3921	1
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1391	0.211
Onchocerca volvulus	Peroxidasin homolog	0.0056	0.3921	1
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Echinococcus granulosus	transcription factor btf3	0.0055	0.38	0.3543
Plasmodium falciparum	heat shock protein 90	0.0023	0.084	0.2212
Schistosoma mansoni	chromobox protein	0.005	0.3326	0.2714
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Loa Loa (eye worm)	blistered cuticle protein 3	0.0056	0.3921	1
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3921	1
Schistosoma mansoni	hypothetical protein	0.0121	1	1
Echinococcus multilocularis	transcription factor btf3	0.0055	0.38	0.3543
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0043	0.2652	0.5881
Leishmania major	basic transcription factor 3a, putative	0.0055	0.38	1
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Brugia malayi	Animal haem peroxidase family protein	0.0056	0.3921	1
Leishmania major	heat shock protein 83-1	0.0023	0.084	0.1301
Trypanosoma brucei	transcription factor BTF3, putative	0.0055	0.38	1
Trypanosoma cruzi	transcription factor btf3, putative	0.0055	0.38	1
Schistosoma mansoni	peroxidasin	0.0056	0.3921	0.3363
Trypanosoma cruzi	transcription factor btf3, putative	0.0055	0.38	1
Schistosoma mansoni	peroxidasin	0.0056	0.3921	0.3363
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3921	1
Trichomonas vaginalis	heat shock protein, putative	0.0023	0.084	0.2212
Trichomonas vaginalis	chromobox protein, putative	0.003	0.1477	0.3887
Brugia malayi	Animal haem peroxidase family protein	0.0056	0.3921	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3921	1
Brugia malayi	Animal haem peroxidase family protein	0.0056	0.3921	1

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

ChEMBL: CHEMBL2288108

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 1801543