TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 327.371 | Formula: C19H19F2N3
H donors: 1 H acceptors: 1 LogP: 3.76 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)CNC(c1cnn(c1C)c1cccc(c1)F)C
InChi: 1S/C19H19F2N3/c1-13(22-11-15-5-3-6-16(20)9-15)19-12-23-24(14(19)2)18-8-4-7-17(21)10-18/h3-10,12-13,22H,11H2,1-2H3
InChiKey: JSJVZNSMWJWAAW-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
Echinococcus granulosus	Regulator of G protein signaling 20	0.0021	0.0143	0.0043
Echinococcus granulosus	lamin	0.0026	0.0257	0.0182
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0036	0.047	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0143	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1001	0.1144
Trichomonas vaginalis	mercuric reductase, putative	0.0033	0.0416	0.0276
Schistosoma mansoni	regulator of G protein signaling	0.0021	0.0143	0.0057
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0257	0.0294
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.06	0.0463
Trichomonas vaginalis	glutathione reductase, putative	0.0033	0.0416	0.0276
Echinococcus multilocularis	regulator of G protein signaling 3	0.0021	0.0143	0.0043
Brugia malayi	A-kinase anchor protein 10, precursor	0.0021	0.0143	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0406	0.0464
Schistosoma mansoni	rotamase	0.0036	0.047	0.0588
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0021	0.0143	0.0164
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0061	0.1001	0.1094
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0021	0.0143	0.0057
Echinococcus multilocularis	chromobox protein 1	0.0075	0.1302	0.1463
Brugia malayi	chromobox protein homolog 3	0.0042	0.06	0.0685
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0097	0.1759	0.2985
Echinococcus multilocularis	axis inhibition protein axin	0.0021	0.0143	0.0043
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0257	0.0294
Echinococcus granulosus	thioredoxin glutathione reductase	0.0097	0.1759	0.2023
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0033	0.0416	0.5
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0035	0.0452	0.0269
Mycobacterium tuberculosis	Probable oxidoreductase	0.0245	0.4915	1
Echinococcus granulosus	chromobox protein 1	0.0075	0.1302	0.1463
Echinococcus granulosus	expressed protein	0.0402	0.8268	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0053	0.0837	0.0893
Schistosoma mansoni	chromobox protein	0.0075	0.1302	0.1941
Plasmodium falciparum	thioredoxin reductase	0.0033	0.0416	0.0831
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.06	0.0463
Trichomonas vaginalis	rotamase, putative	0.0036	0.047	0.0331
Plasmodium falciparum	glutathione reductase	0.0097	0.1759	0.4458
Brugia malayi	Pre-SET motif family protein	0.0061	0.1001	0.1144
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0033	0.0416	0.0377
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0021	0.0143	0.0164
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0021	0.0143	0.0043
Brugia malayi	hypothetical protein	0.0019	0.0108	0.0124
Echinococcus granulosus	axis inhibition protein axin	0.0021	0.0143	0.0043
Schistosoma mansoni	axis inhibition protein axin	0.0021	0.0143	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0257	0.0294
Brugia malayi	Thioredoxin reductase	0.0097	0.1759	0.201
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0035	0.0452	0.0269
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0245	0.4915	1
Echinococcus multilocularis	chromobox protein 1	0.0075	0.1302	0.1463
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0143	0.0164
Trichomonas vaginalis	chromobox protein, putative	0.0075	0.1302	0.1176
Echinococcus granulosus	lamin dm0	0.0026	0.0257	0.0182
Schistosoma mansoni	chromobox protein	0.0075	0.1302	0.1941
Echinococcus granulosus	regulator of G protein signaling 3	0.0021	0.0143	0.0043
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0193	0.3811	0.7546
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0193	0.3811	1
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0719	0.0992
Leishmania major	trypanothione reductase	0.0097	0.1759	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0061	0.1001	0.1452
Trichomonas vaginalis	chromobox protein, putative	0.0045	0.0668	0.0532
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0245	0.4915	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0143	0.0164
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0033	0.0416	0.0475
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0193	0.3811	1
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0257	0.0242
Echinococcus granulosus	expressed protein	0.0036	0.047	0.0443
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0021	0.0143	0.0057
Brugia malayi	follicle stimulating hormone receptor	0.0226	0.4506	0.5149
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0021	0.0143	0.0043
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0061	0.1001	0.1452
Brugia malayi	Pre-SET motif family protein	0.0425	0.875	1
Echinococcus granulosus	axis inhibition protein axin	0.0021	0.0143	0.0043
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0035	0.0452	0.0269
Brugia malayi	Heterochromatin protein 1	0.0075	0.1302	0.1488
Echinococcus multilocularis	axis inhibition protein axin	0.0021	0.0143	0.0043
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0073	0.1263	0.1877
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0193	0.3811	1
Echinococcus granulosus	tumor protein p63	0.0326	0.6638	0.8003
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.022	0.4392	0.8837
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0021	0.0143	0.0043
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.06	0.0497
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0035	0.0452	0.0269
Brugia malayi	Doublecortin family protein	0.0019	0.0108	0.0124
Echinococcus multilocularis	regulator of G protein signaling	0.0021	0.0143	0.0043
Trichomonas vaginalis	chromobox protein, putative	0.0075	0.1302	0.1176
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0059	0.0953	0.1036
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0021	0.0143	0.0164
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0021	0.0143	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0143	0.0164
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.022	0.4392	0.5262
Onchocerca volvulus		0.0033	0.0406	0.0301
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0025	0.0227	0.0259
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0021	0.0143	0.0057
Loa Loa (eye worm)	glutathione reductase	0.0097	0.1759	0.201
Trypanosoma brucei	trypanothione reductase	0.0097	0.1759	1
Loa Loa (eye worm)	PXA domain-containing protein	0.0021	0.0143	0.0164
Echinococcus multilocularis	lamin	0.0026	0.0257	0.0182
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0033	0.0416	0.0831
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.022	0.4392	0.8837
Schistosoma mansoni	lamin	0.0026	0.0257	0.0242
Brugia malayi	intermediate filament protein	0.0026	0.0257	0.0294
Trichomonas vaginalis	set domain proteins, putative	0.0484	1	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0097	0.1759	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.022	0.4392	0.8837
Echinococcus multilocularis	regulator of G protein signaling 7	0.0021	0.0143	0.0043
Echinococcus granulosus	intermediate filament protein	0.0026	0.0257	0.0182
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0033	0.0416	0.05
Loa Loa (eye worm)	heterochromatin protein 1	0.0075	0.1302	0.1488
Schistosoma mansoni	serine/threonine protein kinase	0.0021	0.0143	0.0057
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0338	0.0197
Brugia malayi	PXA domain containing protein	0.0021	0.0143	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0247	0.0282
Plasmodium vivax	thioredoxin reductase, putative	0.0097	0.1759	0.4458
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0143	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0719	0.0821
Trichomonas vaginalis	rotamase, putative	0.0035	0.0452	0.0313
Schistosoma mansoni	axis inhibition protein axin	0.0021	0.0143	0.0057
Trichomonas vaginalis	hypothetical protein	0.0193	0.3811	0.3721
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0033	0.0416	0.0377
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0021	0.0143	0.0164
Echinococcus multilocularis	regulator of G protein signaling 3	0.0021	0.0143	0.0043
Brugia malayi	hypothetical protein	0.0021	0.0143	0.0164
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0021	0.0143	0.0164
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0061	0.1001	0.1094
Onchocerca volvulus		0.0048	0.0719	0.0617
Plasmodium vivax	SET domain protein, putative	0.0061	0.1001	0.2411
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0033	0.0416	0.0831
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0143	0.0164
Echinococcus multilocularis	musashi	0.0026	0.0257	0.0182
Echinococcus multilocularis	regulator of G protein signaling 7	0.0021	0.0143	0.0043
Echinococcus granulosus	histone lysine methyltransferase setb	0.0061	0.1001	0.1094
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0036	0.047	0.0537
Echinococcus multilocularis	expressed protein	0.0036	0.047	0.0443
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0061	0.1001	0.1452
Onchocerca volvulus		0.0026	0.0257	0.015
Echinococcus multilocularis	lamin dm0	0.0026	0.0257	0.0182
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0257	0.0294
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0021	0.0143	0.0043
Schistosoma mansoni	lamin	0.0026	0.0257	0.0242
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0097	0.1759	0.2023
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0033	0.0416	0.0831
Plasmodium vivax	glutathione reductase, putative	0.0097	0.1759	0.4458
Echinococcus multilocularis	expressed protein	0.0402	0.8268	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.022	0.4392	0.8837
Onchocerca volvulus		0.0026	0.0257	0.015
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0226	0.4506	0.5149
Toxoplasma gondii	thioredoxin reductase	0.0097	0.1759	0.3956
Brugia malayi	glutathione reductase	0.0097	0.1759	0.201
Schistosoma mansoni	z-protein (S1r protein)	0.0021	0.0143	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0042	0.06	0.0685
Toxoplasma gondii	peptidylprolyl isomerase	0.0035	0.0452	0.0106
Plasmodium falciparum	glutathione reductase	0.0033	0.0416	0.0831
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0061	0.1001	0.1724
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0053	0.0837	0.0893
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0425	0.875	1
Schistosoma mansoni	regulator of G protein signaling	0.0021	0.0143	0.0057
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0025	0.0227	0.0259
Schistosoma mansoni	lipoxygenase	0.0053	0.0837	0.1184
Schistosoma mansoni	serine/threonine protein kinase	0.0021	0.0143	0.0057
Schistosoma mansoni	regulator of G protein signaling	0.0021	0.0143	0.0057
Echinococcus granulosus	regulator of G protein signaling 3	0.0021	0.0143	0.0043
Plasmodium falciparum	thioredoxin reductase	0.0097	0.1759	0.4458
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0108	0.0124
Mycobacterium tuberculosis	Probable reductase	0.022	0.4392	0.8837
Loa Loa (eye worm)	RGS-3 protein	0.0021	0.0143	0.0164
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0021	0.0143	0.0043
Echinococcus granulosus	regulator of G protein signaling 7	0.0021	0.0143	0.0043
Brugia malayi	regulator of G-protein signaling rgs-7	0.0021	0.0143	0.0164
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0108	0.0124
Brugia malayi	regulator of G-protein signaling egl-10	0.0021	0.0143	0.0164
Mycobacterium tuberculosis	Probable dehydrogenase	0.022	0.4392	0.8837
Echinococcus granulosus	chromobox protein 1	0.0075	0.1302	0.1463
Onchocerca volvulus		0.0073	0.1263	0.1167
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.047	0.0331
Trichomonas vaginalis	chromobox protein, putative	0.0045	0.0668	0.0532
Echinococcus multilocularis	tumor protein p63	0.0326	0.6638	0.8003
Brugia malayi	hypothetical protein	0.0021	0.0143	0.0164
Brugia malayi	SET domain containing protein	0.0015	0.0013	0.0015
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0193	0.3811	1
Schistosoma mansoni	serine/threonine protein kinase	0.0021	0.0143	0.0057
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0193	0.3811	1
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0193	0.3811	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0245	0.4915	1
Schistosoma mansoni	regulator of G protein signaling	0.0021	0.0143	0.0057
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0033	0.0416	0.0831
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0045	0.0668	0.0566
Brugia malayi	hypothetical protein	0.0019	0.0108	0.0124
Schistosoma mansoni	regulator of G protein signaling	0.0021	0.0143	0.0057
Brugia malayi	PXA domain containing protein	0.0021	0.0143	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0108	0.0124
Loa Loa (eye worm)	thioredoxin reductase	0.0097	0.1759	0.201
Treponema pallidum	NADH oxidase	0.0033	0.0416	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0338	0.0197
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0035	0.0452	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0021	0.0143	0.0043

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 911870