TDR Targets

Basic information

Technical information

TDR Targets ID: 887441
Name: ST5328759
MW: 295.308 | Formula: C18H14FNO2
H donors: 1 H acceptors: 1 LogP: 3.17 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)F)C=CC1=Cc2c(OC1)cccc2
InChi: 1S/C18H14FNO2/c19-15-6-8-16(9-7-15)20-18(21)10-5-13-11-14-3-1-2-4-17(14)22-12-13/h1-11H,12H2,(H,20,21)/b10-5+
InChiKey: JPWRDWOWRXAZGD-BJMVGYQFSA-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

ZINC05034407

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
Treponema pallidum	DNA ligase (lig)	0.001	0.0889	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0917	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2066	0.1291
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.001	0.0889	0.5
Trichomonas vaginalis	helicase, putative	0.0007	0.052	0.5767
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.0889	0.0889
Loa Loa (eye worm)	hypothetical protein	0.0039	0.5119	0.4642
Schistosoma mansoni	DNA ligase IV	0.001	0.0889	0.0889
Chlamydia trachomatis	DNA ligase	0.001	0.0889	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.052	0.5767
Schistosoma mansoni	topbp1	0.001	0.0889	0.0889
Loa Loa (eye worm)	TAR-binding protein	0.0073	1	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.4225	0.3661
Schistosoma mansoni	tar DNA-binding protein	0.0073	1	1
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.1769	0.0965
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.5119	0.4642
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.052	0.5767
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0889	1
Schistosoma mansoni	topbp1	0.001	0.0889	0.0889
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0889	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.1769	0.0965
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0.1769	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0917	0.0311
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0889	1
Trichomonas vaginalis	replication factor C large subunit, putative	0.001	0.0889	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.1769	0.1154
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.2066	0.1537
Echinococcus multilocularis	nibrin	0.001	0.0889	0.0282
Echinococcus granulosus	GPCR family 2	0.0018	0.2066	0.1537
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0057	0.7749	0.753
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0889	1
Brugia malayi	CXXC zinc finger family protein	0.0033	0.4225	0.3661
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.052	0.5767
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.2066	0.1537
Brugia malayi	RNA recognition motif domain containing protein	0.0073	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0057	0.7749	0.753
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.052	0.5767
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.052	0.5767
Schistosoma mansoni	hypothetical protein	0.0018	0.2066	0.2066
Brugia malayi	TAR-binding protein	0.0073	1	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.7749	0.753
Onchocerca volvulus		0.0033	0.4225	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.052	0.5767
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.0122	0.0122
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0889	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.1769	1
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0917	0.003
Schistosoma mansoni	tar DNA-binding protein	0.0073	1	1
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0.1769	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0.1769	1
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.2066	0.1291
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.1769	0.122
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.052	0.5767
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0889	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.007	0.9595	0.9595
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.2066	0.1537
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.052	0.5767
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.1769	0.122
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.1769	0.122
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.052	0.5767
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0057	0.7749	0.753
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.2066	0.1537
Echinococcus granulosus	tar DNA binding protein	0.0073	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0889	1
Schistosoma mansoni	hypothetical protein	0.0018	0.2066	0.2066
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0889	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.1769	0.122
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.0889	0.0282
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.1769	0.122
Echinococcus multilocularis	cpg binding protein	0.0035	0.4498	0.4131
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0625	0.0625
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.052	0.5767
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.052	0.5767
Schistosoma mansoni	tar DNA-binding protein	0.0073	1	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.1769	0.5
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.1769	0.122
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.052	0.5767
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.052	0.5767
Plasmodium falciparum	replication factor C subunit 1, putative	0.001	0.0889	0.5027
Echinococcus granulosus	cpg binding protein	0.0035	0.4498	0.4131
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.2066	0.1291
Schistosoma mansoni	cpg binding protein	0.0033	0.4225	0.4225
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.052	0.5767
Schistosoma mansoni	cpg binding protein	0.0035	0.4498	0.4498
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.2066	0.1291
Schistosoma mansoni	tar DNA-binding protein	0.0073	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.052	0.5767
Schistosoma mansoni	hypothetical protein	0.0018	0.2066	0.2066
Schistosoma mansoni	tar DNA-binding protein	0.0073	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0073	1	1
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0898	0.0009
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0.1769	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.052	0.5767
Echinococcus granulosus	replication factor c subunit 1	0.001	0.0889	0.0282
Brugia malayi	isocitrate dehydrogenase	0.0016	0.1769	0.0965
Schistosoma mansoni	hypothetical protein	0.0039	0.5119	0.5119
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0062	0.851	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.052	0.5767
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.001	0.0889	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.1769	1
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.001	0.0889	0.5
Giardia lamblia	Replication factor C, subunit 1	0.001	0.0889	0.5
Schistosoma mansoni	hypothetical protein	0.0018	0.2066	0.2066
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.1769	0.1769
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0889	1
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.001	0.0889	0.5
Loa Loa (eye worm)	RNA binding protein	0.0073	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0073	1	1
Schistosoma mansoni	cpg binding protein	0.0035	0.4498	0.4498
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.1769	0.1154
Echinococcus multilocularis	GPCR, family 2	0.0018	0.2066	0.1537
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0.1769	0.5
Echinococcus granulosus	nibrin	0.001	0.0889	0.0282
Entamoeba histolytica	hypothetical protein	0.001	0.0889	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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 887441