TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 297.28 | Formula: C17H12FNO3
H donors: 1 H acceptors: 2 LogP: 3.25 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)C(=Cc1nc2cc(C)ccc2oc1=O)O
InChi: 1S/C17H12FNO3/c1-10-2-7-16-13(8-10)19-14(17(21)22-16)9-15(20)11-3-5-12(18)6-4-11/h2-9,20H,1H3
InChiKey: CBJIGRNIVMMIEV-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0314	0.3508	1
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0482	0.0482
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.0937	0.0829
Schistosoma mansoni	bromodomain containing protein	0.0061	0.0474	0.0474
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0022	0.0002	0.0002
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0444	0.0444
Brugia malayi	TAR-binding protein	0.0062	0.0482	0.1305
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0268	0.0153
Echinococcus multilocularis	hormone sensitive lipase	0.0854	1	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0156	0.0156
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0117	0.0257
Loa Loa (eye worm)	hypothetical protein	0.01	0.0937	0.0829
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.0433	0.0433
Brugia malayi	3-oxo-5-alpha-steroid 4-dehydrogenase 1	0.0314	0.3508	1
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0482	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0145	0.1477	0.1376
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0117	0.0257
Echinococcus granulosus	geminin	0.018	0.1896	0.1896
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0044	0.0268	0.0268
Plasmodium vivax	ataxin-2 like protein, putative	0.0049	0.0327	1
Echinococcus multilocularis	geminin	0.018	0.1896	0.1896
Mycobacterium ulcerans	hypothetical protein	0.0314	0.3508	1
Echinococcus granulosus	3 oxo 5 alpha steroid 4 dehydrogenase C terminal	0.0044	0.0268	0.0268
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0482	0.0482
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.1367	0.1367
Loa Loa (eye worm)	hypothetical protein	0.0854	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0482	0.0369
Trypanosoma cruzi	PAB1-binding protein , putative	0.0049	0.0327	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0184	0.0068
Echinococcus granulosus	GPCR family 2	0.0032	0.0117	0.0117
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0854	1	1
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0314	0.3508	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0444	0.0545
Brugia malayi	hypothetical protein	0.0049	0.0327	0.0861
Plasmodium falciparum	ataxin-2 like protein, putative	0.0049	0.0327	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0561	0.0449
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0117	0.0117
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.0937	0.2612
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0444	0.0444
Echinococcus multilocularis	muscleblind protein	0.0145	0.1477	0.1477
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0166	0.1738	0.492
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0482	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0212	0.0096
Brugia malayi	Bromodomain containing protein	0.0073	0.0611	0.1676
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0136	0.1367	0.1367
Echinococcus multilocularis	synaptic glycoprotein sc2	0.0044	0.0268	0.0268
Schistosoma mansoni	hypothetical protein	0.018	0.1896	0.1896
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0314	0.3508	1
Echinococcus granulosus	synaptic glycoprotein sc2	0.0044	0.0268	0.0268
Echinococcus multilocularis	muscleblind protein 1	0.0145	0.1477	0.1477
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0327	0.0213
Schistosoma mansoni	hypothetical protein	0.0068	0.0557	0.0557
Schistosoma mansoni	hypothetical protein	0.0032	0.0117	0.0117
Schistosoma mansoni	hypothetical protein	0.0032	0.0117	0.0117
Toxoplasma gondii	LsmAD domain-containing protein	0.0049	0.0327	0.0183
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0136	0.1367	0.385
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.1367	0.1367
Plasmodium falciparum	ataxin-2 like protein, putative	0.0049	0.0327	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0444	0.0444
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0117	0.0117
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0482	0.0369
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0482	0.0482
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0482	0.0369
Leishmania major	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	0.0314	0.3508	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0049	0.0327	0.0183
Brugia malayi	hypothetical protein	0.0032	0.0118	0.026
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.1367	0.1367
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0136	0.1367	0.1265
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0117	0.0117
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0117	0.0117
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	0.0314	0.3508	1
Brugia malayi	Bromodomain containing protein	0.0037	0.0183	0.0448
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.0314	0.3508	1
Schistosoma mansoni	hypothetical protein	0.018	0.1896	0.1896
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0482	0.0482
Echinococcus granulosus	muscleblind protein	0.0145	0.1477	0.1477
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0022	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0234	0.0119
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0136	0.1367	0.1367
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0268	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0314	0.3508	0.3431
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0444	0.0444
Brugia malayi	RNA binding protein	0.0062	0.0482	0.1305
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0136	0.1367	0.1367
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.0937	0.2612
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0854	1	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0117	0.0117
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0136	0.1367	0.1367
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0156	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0557	0.0445
Schistosoma mansoni	hypothetical protein	0.0032	0.0117	0.0117
Mycobacterium ulcerans	short chain dehydrogenase	0.0278	0.3074	0.8585
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0314	0.3508	1
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0314	0.3508	1
Onchocerca volvulus		0.0044	0.0268	0.5
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0854	1	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0049	0.0327	0.0183
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0117	0.0117
Brugia malayi	Synaptic glycoprotein SC2	0.0044	0.0268	0.069
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0482	0.1305
Schistosoma mansoni	hypothetical protein	0.0022	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0145	0.1477	0.1376
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.0557	0.1522
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0482	0.0482
Mycobacterium tuberculosis	Probable oxidoreductase	0.0278	0.3074	1
Brugia malayi	Muscleblind-like protein	0.0145	0.1477	0.4164
Giardia lamblia	Synaptic glycoprotein SC2	0.0044	0.0268	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.0433	0.0433
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0444	0.0369
Echinococcus multilocularis	3 oxo 5 alpha steroid 4 dehydrogenase, C terminal	0.0044	0.0268	0.0268
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0044	0.0268	0.0268
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0166	0.1738	0.4223
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0314	0.3508	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

Search by Saint Jude

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 764518