TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 317.315 | Formula: C16H16FN3O3
H donors: 0 H acceptors: 3 LogP: 0.4 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cnccc1C(=O)N1Cc2c(C1)nc(o2)COCC1CC1
InChi: 1S/C16H16FN3O3/c17-12-5-18-4-3-11(12)16(21)20-6-13-14(7-20)23-15(19-13)9-22-8-10-1-2-10/h3-5,10H,1-2,6-9H2
InChiKey: OUYOXHVMGKDAAA-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
Trichomonas vaginalis	aldo-keto reductase, putative	0.0204	0.2535	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0204	0.2535	1
Toxoplasma gondii	aldose reductase, putative	0.0204	0.2535	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0204	0.2535	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0204	0.2535	0.2535
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0204	0.2535	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0342	0.0342
Trichomonas vaginalis	aldo-keto reductase, putative	0.0204	0.2535	1
Loa Loa (eye worm)	hypothetical protein	0.0204	0.2535	1
Schistosoma mansoni	microtubule-associated protein tau	0.0741	1	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0204	0.2535	1
Giardia lamblia	Aldose reductase	0.0204	0.2535	0.5
Entamoeba histolytica	aldose reductase, putative	0.0204	0.2535	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0204	0.2535	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0204	0.2535	0.2535
Echinococcus granulosus	hypothetical protein	0.0204	0.2535	0.2535
Schistosoma mansoni	lipoxygenase	0.0059	0.0529	0.0529
Trypanosoma brucei	prostaglandin f synthase	0.0204	0.2535	1
Echinococcus multilocularis	aldo keto reductase	0.0204	0.2535	0.2535
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0059	0.0525	0.0525
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0342	0.0342
Trypanosoma brucei	aldo-keto reductase, putative	0.0204	0.2535	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0204	0.2535	0.2535
Brugia malayi	NADH-dependent xylose reductase	0.0059	0.0525	0.2072
Schistosoma mansoni	potassium channel beta	0.0059	0.0525	0.0525
Trichomonas vaginalis	aldo-keto reductase, putative	0.0204	0.2535	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0204	0.2535	1
Plasmodium falciparum	aldehyde reductase, putative	0.0059	0.0525	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0204	0.2535	0.2535
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0204	0.2535	0.2535
Loa Loa (eye worm)	oxidoreductase	0.0204	0.2535	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0204	0.2535	0.2535
Loa Loa (eye worm)	oxidoreductase	0.0204	0.2535	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0204	0.2535	1
Onchocerca volvulus		0.0204	0.2535	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0204	0.2535	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0342	0.1349
Echinococcus granulosus	aldo keto reductase	0.0204	0.2535	0.2535
Trichomonas vaginalis	aldo-keto reductase, putative	0.0204	0.2535	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0204	0.2535	1
Onchocerca volvulus		0.0204	0.2535	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0204	0.2535	1
Entamoeba histolytica	aldose reductase, putative	0.0204	0.2535	1
Echinococcus granulosus	aldo keto reductase	0.0204	0.2535	0.2535
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0204	0.2535	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0204	0.2535	0.2535
Loa Loa (eye worm)	oxidoreductase	0.0204	0.2535	1
Echinococcus granulosus	aldo keto reductase	0.0204	0.2535	0.2535
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0204	0.2535	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0342	0.0342
Echinococcus multilocularis	aldo keto reductase	0.0204	0.2535	0.2535
Loa Loa (eye worm)	oxidoreductase	0.0204	0.2535	1
Giardia lamblia	Aldose reductase	0.0204	0.2535	0.5
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0204	0.2535	1
Onchocerca volvulus		0.0204	0.2535	1
Schistosoma mansoni	pol-related	0.0204	0.2535	0.2535
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0059	0.0525	0.2072
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0059	0.0525	1
Leishmania major	aldo-keto reductase-like protein	0.0204	0.2535	1
Trypanosoma cruzi	aldo-keto reductase	0.0204	0.2535	1
Echinococcus multilocularis	expressed protein	0.0401	0.5274	0.5274
Trichomonas vaginalis	aldo-keto reductase, putative	0.0204	0.2535	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0204	0.2535	0.2535
Leishmania major	prostaglandin f synthase, putative	0.0204	0.2535	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0204	0.2535	0.2535
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0204	0.2535	0.2535
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0059	0.0525	0.2072
Echinococcus multilocularis	aldehyde reductase	0.0145	0.1715	0.1715
Trypanosoma cruzi	aldo/keto reductase, putative	0.0204	0.2535	1
Echinococcus multilocularis	aldo keto reductase	0.0204	0.2535	0.2535
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0204	0.2535	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0059	0.0525	1
Plasmodium vivax	aldehyde reductase, putative	0.0059	0.0525	1
Loa Loa (eye worm)	oxidoreductase	0.0204	0.2535	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0204	0.2535	1
Mycobacterium ulcerans	oxidoreductase	0.0204	0.2535	1
Echinococcus granulosus	expressed protein	0.0401	0.5274	0.5274
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0204	0.2535	0.2535
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0204	0.2535	1
Mycobacterium leprae	Conserved hypothetical protein	0.0145	0.1715	0.5922
Mycobacterium tuberculosis	Probable oxidoreductase	0.0204	0.2535	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0342	0.0342
Trichomonas vaginalis	aldo/keto reductase, putative	0.0204	0.2535	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0059	0.0529	0.0529
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0204	0.2535	0.2535
Echinococcus multilocularis	aldo keto reductase	0.0204	0.2535	0.2535
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0204	0.2535	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0204	0.2535	0.2535
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0204	0.2535	0.2535
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0342	0.0342
Onchocerca volvulus		0.0204	0.2535	1
Echinococcus granulosus	voltage gated potassium channel subunit	0.0059	0.0525	0.0525
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0204	0.2535	0.2535
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0059	0.0529	0.0529
Trichomonas vaginalis	aldo-keto reductase, putative	0.0204	0.2535	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0204	0.2535	0.2535
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0342	0.0342
Schistosoma mansoni	aldo-keto reductase	0.0204	0.2535	0.2535
Echinococcus granulosus	aldehyde reductase	0.0145	0.1715	0.1715
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0204	0.2535	0.2535
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0342	0.0342
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0204	0.2535	0.2535
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0204	0.2535	0.2535
Onchocerca volvulus		0.0059	0.0525	0.2072
Onchocerca volvulus		0.0204	0.2535	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0342	0.1349
Echinococcus multilocularis	microtubule associated protein 2	0.0741	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0204	0.2535	0.2535
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0059	0.0525	0.0525
Entamoeba histolytica	aldose reductase, putative	0.0204	0.2535	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0204	0.2535	1
Schistosoma mansoni	aldo-keto reductase	0.0204	0.2535	0.2535
Onchocerca volvulus		0.0204	0.2535	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: CHEMBL3552515

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 1154920