TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 357.285 | Formula: C15H14F3N3O4
H donors: 3 H acceptors: 5 LogP: 1.53 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1ccc(cc1)NC(=O)C(NC(=O)C(F)(F)F)CCCC(=O)O
InChi: 1S/C15H14F3N3O4/c16-15(17,18)14(25)21-11(2-1-3-12(22)23)13(24)20-10-6-4-9(8-19)5-7-10/h4-7,11H,1-3H2,(H,20,24)(H,21,25)(H,22,23)
InChiKey: HAHYKVISRVMDOE-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	Transcription factor, JmjC domain containing protein	0.0243	0.4998	0.5561
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	0.5908	0.5897
Echinococcus granulosus	jumonji domain containing 1A	0.0034	0.0178	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0283	0.0315
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0126	0.2305	0.2559
Echinococcus granulosus	JmjC domain containing protein 4	0.0034	0.0178	0.0187
Echinococcus granulosus	carboxylesterase 5A	0.0416	0.8978	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0756	0.0831
Echinococcus multilocularis	lysine specific demethylase 6a	0.0034	0.0178	0.0187
Loa Loa (eye worm)	jmjC domain-containing protein	0.0034	0.0178	0.0199
Loa Loa (eye worm)	hypothetical protein	0.003	0.0093	0.0104
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0034	0.0178	0.0187
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0349	0.0339
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0214	0.0188
Mycobacterium ulcerans	carboxylesterase, LipT	0.007	0.1022	0.3414
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0011	0.0012
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0214	0.0188
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.0971	0.1082
Onchocerca volvulus		0.0035	0.0214	0.0203
Brugia malayi	PHD-finger family protein	0.0057	0.0709	0.0778
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0282	0.5908	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0163	0.0182
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0514	0.0561
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0756	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0163	0.017
Brugia malayi	hypothetical protein	0.007	0.1022	0.1128
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0514	0.0561
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0214	0.0239
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	0.5908	0.5897
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0756	0.0831
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0069	0.0996	0.1099
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0034	0.0178	0.0187
Loa Loa (eye worm)	hypothetical protein	0.007	0.1022	0.1139
Brugia malayi	Carboxylesterase family protein	0.0416	0.8978	1
Echinococcus granulosus	BC026374 protein S09 family	0.007	0.1022	0.1128
Brugia malayi	Pre-SET motif family protein	0.0058	0.074	0.0813
Echinococcus multilocularis	acetylcholinesterase	0.0416	0.8978	1
Echinococcus multilocularis	JmjC domain containing protein 4	0.0034	0.0178	0.0187
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0971	0.0947
Toxoplasma gondii	PHD-finger domain-containing protein	0.0057	0.0709	0.9186
Plasmodium vivax	hypothetical protein, conserved	0.0057	0.0709	0.9445
Trichomonas vaginalis	set domain proteins, putative	0.046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0214	0.0239
Brugia malayi	Heterochromatin protein 1	0.0068	0.0971	0.107
Echinococcus granulosus	histone lysine methyltransferase setb	0.0058	0.074	0.0813
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0756	0.2288
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	0.5908	0.5897
Echinococcus multilocularis	phd:f box containing protein	0.0034	0.0178	0.0187
Schistosoma mansoni	hypothetical protein	0.0057	0.0709	0.0778
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0178	0.0199
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0514	0.0573
Onchocerca volvulus		0.007	0.1022	0.1012
Brugia malayi	Bromodomain containing protein	0.0057	0.0709	0.0778
Echinococcus granulosus	phd:f box containing protein	0.0034	0.0178	0.0187
Brugia malayi	Carboxylesterase family protein	0.007	0.1022	0.1128
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0214	1
Loa Loa (eye worm)	carboxylesterase	0.007	0.1022	0.1139
Brugia malayi	Carboxylesterase family protein	0.007	0.1022	0.1128
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0138	0.2582	0.5428
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0404	0.8714	0.9706
Loa Loa (eye worm)	hypothetical protein	0.0416	0.8978	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.074	0.0824
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0058	0.074	0.0813
Echinococcus granulosus	lysine specific demethylase 5A	0.0126	0.2305	0.2559
Brugia malayi	Carboxylesterase family protein	0.007	0.1022	0.1128
Echinococcus granulosus	para nitrobenzyl esterase	0.007	0.1022	0.1128
Echinococcus multilocularis	acetylcholinesterase	0.0416	0.8978	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0034	0.0178	0.0199
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0214	0.0188
Plasmodium vivax	SET domain protein, putative	0.0058	0.074	1
Trichomonas vaginalis	esterase, putative	0.0035	0.0214	0.0188
Brugia malayi	Carboxylesterase family protein	0.0416	0.8978	1
Brugia malayi	jmjC domain containing protein	0.0034	0.0178	0.0187
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0214	0.0227
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0243	0.4998	0.5561
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0971	0.107
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0214	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0214	0.0239
Schistosoma mansoni	neuroligin 3 (S09 family)	0.007	0.1022	0.1128
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0057	0.0709	0.0778
Onchocerca volvulus		0.007	0.1022	0.1012
Schistosoma mansoni	hypothetical protein	0.0165	0.3214	0.3572
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0214	0.0188
Onchocerca volvulus		0.0035	0.0214	0.0203
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0058	0.074	0.0813
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.007	0.1022	0.1128
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0756	0.0831
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.007	0.1022	0.1853
Echinococcus multilocularis	jumonji domain containing 1A	0.0034	0.0178	0.0187
Onchocerca volvulus	Alhambra homolog	0.0057	0.0709	0.0699
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0283	0.0257
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0214	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	0.5908	0.5897
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0214	0.0239
Onchocerca volvulus		0.007	0.1022	0.1012
Loa Loa (eye worm)	hypothetical protein	0.007	0.1022	0.1139
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	0.5908	0.5897
Trichomonas vaginalis	spcc417.12 protein, putative	0.007	0.1022	0.0999
Brugia malayi	jmjC domain containing protein	0.0034	0.0178	0.0187
Brugia malayi	jmjC domain containing protein	0.0034	0.0178	0.0187
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0011	0.0012
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0416	0.8978	1
Brugia malayi	beta-lactamase	0.0035	0.0214	0.0227
Schistosoma mansoni	protein phosphatase 2C	0.0034	0.0178	0.0187
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0057	0.0709	0.0778
Loa Loa (eye worm)	jmjC domain-containing protein	0.0117	0.2097	0.2336
Loa Loa (eye worm)	hypothetical protein	0.007	0.1022	0.1139
Loa Loa (eye worm)	hypothetical protein	0.007	0.1022	0.1139
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0756	0.2288
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0971	0.107
Schistosoma mansoni	jumonji domain containing protein	0.0205	0.412	0.4582
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0514	0.0573
Brugia malayi	beta-lactamase family protein	0.0035	0.0214	0.0227
Echinococcus granulosus	geminin	0.0165	0.3214	0.3572
Brugia malayi	Pre-SET motif family protein	0.0404	0.8714	0.9705
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0058	0.074	0.0813
Schistosoma mansoni	phosphatidylserine receptor	0.0034	0.0178	0.0187
Schistosoma mansoni	acetylcholinesterase	0.007	0.1022	0.1128
Onchocerca volvulus		0.007	0.1022	0.1012
Toxoplasma gondii	ABC1 family protein	0.0035	0.0214	0.0621
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0056	0.0691	0.0758
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0214	0.0239
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.007	0.1022	0.1128
Treponema pallidum	fructose-bisphosphate aldolase	0.0282	0.5908	0.5
Schistosoma mansoni	chromobox protein	0.0068	0.0971	0.107
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0756	0.1242
Echinococcus multilocularis	para nitrobenzyl esterase	0.007	0.1022	0.1128
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	0.5908	0.5897
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.007	0.1022	0.1128
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0138	0.2582	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0416	0.8978	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0709	0.079
Echinococcus granulosus	neuroligin	0.007	0.1022	0.1128
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	0.5908	0.5897
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0058	0.074	0.0813
Echinococcus multilocularis	BC026374 protein (S09 family)	0.007	0.1022	0.1128
Brugia malayi	beta-lactamase family protein	0.0035	0.0214	0.0227
Onchocerca volvulus		0.003	0.0093	0.0082
Brugia malayi	jmjC domain containing protein	0.0243	0.4998	0.5561
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.007	0.1022	0.1853
Onchocerca volvulus		0.0035	0.0214	0.0203
Schistosoma mansoni	hypothetical protein	0.0033	0.0163	0.017
Schistosoma mansoni	lipoxygenase	0.0054	0.0646	0.0708
Loa Loa (eye worm)	carboxylesterase	0.0416	0.8978	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0011	0.0012
Brugia malayi	jmjC domain containing protein	0.0034	0.0178	0.0187
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0971	0.0947
Echinococcus multilocularis	lysine specific demethylase 5A	0.0126	0.2305	0.2559
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0214	0.0239
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0138	0.2582	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0058	0.074	0.9726
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0214	0.0639
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0756	0.2288
Echinococcus granulosus	PHD finger protein rhinoceros	0.0057	0.0709	0.0778
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0126	0.2305	0.2559
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0756	0.0831
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0054	0.0646	0.0708
Onchocerca volvulus		0.0069	0.0996	0.0986
Loa Loa (eye worm)	hypothetical protein	0.007	0.1022	0.1139
Echinococcus granulosus	chromobox protein 1	0.0068	0.0971	0.107
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0214	0.0227
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.007	0.1022	0.1128
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0214	0.0188
Giardia lamblia	Fructose-bisphosphate aldolase	0.0282	0.5908	1
Echinococcus granulosus	chromobox protein 1	0.0068	0.0971	0.107
Schistosoma mansoni	gliotactin	0.007	0.1022	0.1128
Brugia malayi	chromobox protein homolog 3	0.0038	0.0283	0.0303
Loa Loa (eye worm)	hypothetical protein	0.007	0.1022	0.1139
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	0.5908	0.5897
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0756	1
Loa Loa (eye worm)	PHD-finger family protein	0.0057	0.0709	0.079
Brugia malayi	Carboxylesterase family protein	0.007	0.1022	0.1128
Plasmodium falciparum	phd finger protein, putative	0.0057	0.0709	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0126	0.2305	0.2568
Echinococcus multilocularis	peregrin	0.0057	0.0709	0.0778
Schistosoma mansoni	BC026374 protein (S09 family)	0.007	0.1022	0.1128
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1993	0.222
Echinococcus granulosus	acetylcholinesterase	0.0416	0.8978	1
Echinococcus granulosus	lysine specific demethylase 6a	0.0034	0.0178	0.0187
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0054	0.0646	0.0708
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0349	0.0324
Echinococcus granulosus	jumonji domain containing protein	0.0079	0.122	0.1348
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0058	0.074	0.0813
Echinococcus granulosus	peregrin	0.0057	0.0709	0.0778
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0282	0.5908	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0214	0.0239
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0225	0.4576	1
Echinococcus multilocularis	neuroligin	0.007	0.1022	0.1128
Schistosoma mansoni	jumonji domain containing protein	0.0034	0.0178	0.0187
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.007	0.1022	0.1128
Echinococcus multilocularis	geminin	0.0165	0.3214	0.3572
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0034	0.0178	0.0187
Leishmania major	hypothetical protein, conserved	0.0035	0.0214	0.0621
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0283	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0416	0.8978	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0214	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0178	0.0199
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0214	0.0227
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.007	0.1022	0.0999
Mycobacterium tuberculosis	Carboxylesterase LipT	0.007	0.1022	0.1853
Echinococcus multilocularis	carboxylesterase 5A	0.0416	0.8978	1
Brugia malayi	jmjC domain containing protein	0.0126	0.2305	0.2559
Loa Loa (eye worm)	carboxylesterase	0.007	0.1022	0.1139
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0214	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0034	0.0178	0.0199
Echinococcus multilocularis	jumonji domain containing protein	0.0079	0.122	0.1348
Onchocerca volvulus		0.007	0.1022	0.1012
Loa Loa (eye worm)	hypothetical protein	0.007	0.1022	0.1139
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0349	0.0324
Echinococcus granulosus	acetylcholinesterase	0.0416	0.8978	1
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0283	0.0257
Schistosoma mansoni	phd/f-box containing protein	0.0034	0.0178	0.0187
Schistosoma mansoni	hypothetical protein	0.0165	0.3214	0.3572
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0214	0.0227
Schistosoma mansoni	chromobox protein	0.0068	0.0971	0.107
Toxoplasma gondii	PHD-finger domain-containing protein	0.0057	0.0709	0.9186

Activities

Activity type	Activity value	Assay description	Source	Reference
Taste (functional)	= 0	Compound was evaluated for the potency of sweet taste when sweetness of sucrose is taken as 1 on a weight basis; Not sweet	ChEMBL.	7069717

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 225288