TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 359.35 | Formula: C22H14FNO3
H donors: 1 H acceptors: 3 LogP: 5.01 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)c1cc(nc2c1cccc2F)c1ccc(cc1)Oc1ccccc1
InChi: 1S/C22H14FNO3/c23-19-8-4-7-17-18(22(25)26)13-20(24-21(17)19)14-9-11-16(12-10-14)27-15-5-2-1-3-6-15/h1-13H,(H,25,26)
InChiKey: DZILOIXBEUUWJC-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	multidrug resistance associated protein 1	0.016	0.1004	0.1004
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.016	0.1004	0.5
Trypanosoma brucei	multidrug resistance protein E	0.016	0.1004	0.5
Leishmania major	ABC-thiol transporter	0.016	0.1004	0.5
Echinococcus multilocularis	glycogen phosphorylase	0.0492	1	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.016	0.1004	0.0039
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0492	1	0.5
Echinococcus multilocularis	multidrug resistance associated protein 7	0.016	0.1004	0.1004
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.016	0.1004	0.5
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.016	0.1004	1
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.016	0.1004	0.5
Chlamydia trachomatis	glycogen phosphorylase	0.0492	1	0.5
Echinococcus granulosus	Glycosyl transferase family 35	0.0492	1	1
Echinococcus granulosus	multidrug resistance associated protein 1	0.016	0.1004	0.1004
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.016	0.1004	0.0973
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.016	0.1004	1
Schistosoma mansoni	glycogen phosphorylase	0.0213	0.2438	0.1594
Trypanosoma cruzi	multidrug resistance protein E, putative	0.016	0.1004	1
Entamoeba histolytica	glycogen phosphorylase, putative	0.0213	0.2438	0.1594
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.016	0.1004	0.5
Echinococcus multilocularis	glycogen phosphorylase	0.0492	1	1
Giardia lamblia	ABC transporter, putative	0.016	0.1004	0.0039
Entamoeba histolytica	glycogen phosphorylase, putative	0.0213	0.2438	0.1594
Echinococcus granulosus	glycogen phosphorylase	0.0492	1	1
Entamoeba histolytica	glycogen phosphorylase, putative	0.0492	1	1
Loa Loa (eye worm)	glycogen phosphorylase	0.0492	1	1
Schistosoma mansoni	glycogen phosphorylase	0.0492	1	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.016	0.1004	0.5
Leishmania major	pentamidine resistance protein 1	0.016	0.1004	0.5
Echinococcus granulosus	multidrug resistance associated protein 7	0.016	0.1004	0.1004
Loa Loa (eye worm)	hypothetical protein	0.016	0.1004	0.0973
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.016	0.1004	0.5
Leishmania major	p-glycoprotein e	0.016	0.1004	0.5
Giardia lamblia	Glycogen phosphorylase	0.0492	1	1
Entamoeba histolytica	glycogenphosphorylase, putative	0.0213	0.2438	0.1594
Entamoeba histolytica	glycogen phosphorylase, putative	0.0492	1	1
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0492	1	1
Loa Loa (eye worm)	hypothetical protein	0.0159	0.0969	0.0938
Giardia lamblia	Multidrug resistance-associated protein 1	0.016	0.1004	0.0039
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0213	0.2438	0.5
Trypanosoma brucei	p-glycoprotein	0.016	0.1004	0.5
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.016	0.1004	0.5
Giardia lamblia	MRP-like ABC transporter	0.016	0.1004	0.0039
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0492	1	0.5
Schistosoma mansoni	glycogen phosphorylase	0.0492	1	1
Loa Loa (eye worm)	hypothetical protein	0.016	0.1004	0.0973
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0492	1	0.5
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0213	0.2438	0.5
Echinococcus granulosus	glycogen phosphorylase	0.0492	1	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: CHEMBL2385699

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 1779559