TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 262.236 | Formula: C13H11FN2O3
H donors: 2 H acceptors: 3 LogP: 1.85 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)CNc1ccc([n+](c1)[O-])C(=O)O
InChi: 1S/C13H11FN2O3/c14-10-3-1-9(2-4-10)7-15-11-5-6-12(13(17)18)16(19)8-11/h1-6,8,15H,7H2,(H,17,18)
InChiKey: DNPGPFVGNDAVLB-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	muscleblind protein	0.0151	0.0688	0.0628
Echinococcus multilocularis	transcription factor eb	0.0109	0.0396	0.0334
Schistosoma mansoni	calcium-activated potassium channel	0.1201	0.8014	0.8001
Schistosoma mansoni	acetylcholinesterase	0.0094	0.0289	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Brugia malayi	beta-lactamase family protein	0.0072	0.0137	0.021
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0094	0.0289	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0289	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0151	0.0688	0.0688
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Brugia malayi	Carboxylesterase family protein	0.0094	0.0289	0.0653
Schistosoma mansoni	calcium-activated potassium channel	0.1485	1	1
Brugia malayi	Carboxylesterase family protein	0.0094	0.0289	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0151	0.0688	0.0688
Echinococcus multilocularis	survival motor neuron protein 1	0.0239	0.1303	0.1246
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0393	0.0393
Loa Loa (eye worm)	carboxylesterase	0.0555	0.3508	0.3508
Loa Loa (eye worm)	hypothetical protein	0.1485	1	1
Plasmodium falciparum	potassium channel	0.0062	0.0064	0.5
Onchocerca volvulus		0.0094	0.0289	1
Echinococcus multilocularis	small conductance calcium activated potassium	0.1485	1	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0137	0.3208
Mycobacterium tuberculosis	Probable hydrolase	0.0072	0.0137	0.026
Mycobacterium tuberculosis	Probable esterase LipL	0.0072	0.0137	0.026
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0137	0.026
Loa Loa (eye worm)	acetylcholinesterase 1	0.0555	0.3508	0.3508
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0137	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0555	0.3508	0.3508
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.0338	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0062	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0239	0.1303	0.1303
Loa Loa (eye worm)	TWK-28 protein	0.0062	0.0064	0.0064
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0094	0.0289	0.0811
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0062	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0137	0.026
Onchocerca volvulus		0.0072	0.0137	0.3208
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Schistosoma mansoni	hypothetical protein	0.0069	0.0116	0.0052
Brugia malayi	Carboxylesterase family protein	0.0094	0.0289	0.0653
Echinococcus granulosus	acetylcholinesterase	0.0555	0.3508	0.3466
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0101	0.034	0.0277
Echinococcus granulosus	para nitrobenzyl esterase	0.0094	0.0289	0.0226
Trypanosoma brucei	hypothetical protein, conserved	0.0072	0.0137	1
Schistosoma mansoni	transcription factor LCR-F1	0.0072	0.0136	0.0072
Schistosoma mansoni	hypothetical protein	0.0167	0.0801	0.0741
Brugia malayi	Carboxylesterase family protein	0.0555	0.3508	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Echinococcus multilocularis	acetylcholinesterase	0.0555	0.3508	0.3466
Onchocerca volvulus		0.0094	0.0289	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0094	0.0289	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0338	0.0338
Brugia malayi	hypothetical protein	0.0239	0.1303	0.3595
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0109	0.0396	0.0963
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0137	0.3208
Echinococcus granulosus	carboxylesterase 5A	0.0555	0.3508	0.3466
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0289	0.0289
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.0116	0.0149
Schistosoma mansoni	hypothetical protein	0.1485	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.0477	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0289	0.0289
Echinococcus granulosus	beta LACTamase domain containing family member	0.0072	0.0137	0.0073
Echinococcus granulosus	transcription factor eb	0.0109	0.0396	0.0334
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0459	0.284	1
Echinococcus granulosus	survival motor neuron protein 1	0.0239	0.1303	0.1246
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0072	0.0137	0.026
Brugia malayi	beta-lactamase	0.0072	0.0137	0.021
Loa Loa (eye worm)	hypothetical protein	0.0633	0.4051	0.4051
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0137	0.3208
Entamoeba histolytica	hypothetical protein	0.0072	0.0136	0.2711
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Mycobacterium tuberculosis	Probable lipase LipE	0.0072	0.0137	0.026
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0289	0.0289
Onchocerca volvulus		0.0094	0.0289	1
Onchocerca volvulus		0.0094	0.0289	1
Loa Loa (eye worm)	carboxylesterase	0.0094	0.0289	0.0289
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0094	0.0289	0.0811
Loa Loa (eye worm)	carboxylesterase	0.0094	0.0289	0.0289
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0072	0.0137	0.026
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0116	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0137	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0137	0.0073
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0072	0.0137	0.026
Brugia malayi	Muscleblind-like protein	0.0151	0.0688	0.1812
Mycobacterium tuberculosis	Probable lipase LipD	0.0072	0.0137	0.026
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0072	0.0136	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Echinococcus multilocularis	geminin	0.0167	0.0801	0.0741
Schistosoma mansoni	BC026374 protein (S09 family)	0.0094	0.0289	0.0226
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0109	0.0393	0.0393
Echinococcus granulosus	expressed conserved protein	0.0093	0.0287	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0289	0.0289
Plasmodium falciparum	potassium channel	0.0062	0.0064	0.5
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0094	0.0289	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Echinococcus granulosus	Niemann Pick C1 protein	0.0142	0.0627	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0289	0.0289
Schistosoma mansoni	hypothetical protein	0.0072	0.0136	0.0072
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0137	1
Onchocerca volvulus		0.0094	0.0289	1
Entamoeba histolytica	hypothetical protein	0.0072	0.0136	0.2711
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Mycobacterium ulcerans	esterase/lipase LipP	0.0072	0.0137	0.3208
Echinococcus granulosus	Niemann Pick C1 protein	0.0099	0.0329	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0137	0.0137
Giardia lamblia	Hypothetical protein	0.0062	0.0064	0.5
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0094	0.0289	0.0226
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.0338	0.0338
Mycobacterium ulcerans	beta-lactamase	0.0072	0.0137	0.3208
Brugia malayi	Carboxylesterase family protein	0.0555	0.3508	1
Onchocerca volvulus		0.0072	0.0137	0.3208
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Toxoplasma gondii	ABC1 family protein	0.0072	0.0137	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Echinococcus granulosus	geminin	0.0167	0.0801	0.0741
Echinococcus granulosus	acetylcholinesterase	0.0555	0.3508	0.3466
Mycobacterium ulcerans	lipase LipD	0.0072	0.0137	0.3208
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0072	0.0137	0.3208
Loa Loa (eye worm)	hypothetical protein	0.0568	0.3598	0.3598
Echinococcus multilocularis	Niemann Pick C1 protein	0.0099	0.0329	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0137	0.0137
Echinococcus multilocularis	muscleblind protein 1	0.0151	0.0688	0.0628
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0137	0.0137
Brugia malayi	Carboxylesterase family protein	0.0094	0.0289	0.0653
Trichomonas vaginalis	esterase, putative	0.0072	0.0137	0.3208
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0072	0.0137	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0289	0.0289
Brugia malayi	Niemann-Pick C1 protein precursor	0.0099	0.0329	0.0769
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.0338	0.0795
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0094	0.0289	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Brugia malayi	MH2 domain containing protein	0.0121	0.0477	0.1198
Entamoeba histolytica	hypothetical protein	0.0072	0.0136	0.2711
Echinococcus granulosus	BC026374 protein S09 family	0.0094	0.0289	0.0226
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0072	0.0137	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Brugia malayi	hypothetical protein	0.0094	0.0289	0.0653
Entamoeba histolytica	hypothetical protein	0.0072	0.0136	0.2711
Mycobacterium ulcerans	hypothetical protein	0.0072	0.0137	0.3208
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0555	0.3508	0.3466
Leishmania major	hypothetical protein, conserved	0.0072	0.0137	1
Plasmodium vivax	hypothetical protein, conserved	0.0072	0.0137	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0137	0.3208
Onchocerca volvulus		0.0072	0.0137	0.3208
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0137	0.0137
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0137	0.026
Echinococcus multilocularis	Niemann Pick C1 protein	0.0142	0.0627	0.0566
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0072	0.0136	0.0072
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0137	0.0073
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0099	0.0329	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0094	0.0289	0.0226
Loa Loa (eye worm)	TWK-7 protein	0.0062	0.0064	0.0064
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0137	0.3208
Mycobacterium ulcerans	carboxylesterase, LipT	0.0094	0.0289	1
Schistosoma mansoni	hypothetical protein	0.0167	0.0801	0.0741
Mycobacterium leprae	conserved hypothetical protein	0.0072	0.0137	0.5
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0094	0.0289	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0555	0.3508	0.3508
Brugia malayi	hypothetical protein	0.0072	0.0136	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.0477	0.0477
Schistosoma mansoni	gliotactin	0.0094	0.0289	0.0226
Mycobacterium leprae	Probable lipase LipE	0.0072	0.0137	0.5
Echinococcus granulosus	muscleblind protein	0.0151	0.0688	0.0628
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0094	0.0289	0.0811
Echinococcus multilocularis	acetylcholinesterase	0.0555	0.3508	0.3466
Loa Loa (eye worm)	hypothetical protein	0.0223	0.1191	0.1191
Echinococcus multilocularis	expressed conserved protein	0.0093	0.0287	0.0224
Brugia malayi	beta-lactamase family protein	0.0072	0.0137	0.021
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Loa Loa (eye worm)	uncoordinated protein 58	0.0062	0.0064	0.0064
Echinococcus granulosus	neuroligin	0.0094	0.0289	0.0226
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0094	0.0289	0.0226
Echinococcus multilocularis	carboxylesterase 5A	0.0555	0.3508	0.3466
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0094	0.0289	0.0226
Trichomonas vaginalis	spcc417.12 protein, putative	0.0094	0.0289	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0072	0.0137	0.021
Loa Loa (eye worm)	beta-lactamase	0.0072	0.0137	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0062	0.0064	0.0064
Echinococcus multilocularis	neuroligin	0.0094	0.0289	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0137	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0329	0.0329

Activities

Activity type	Activity value	Assay description	Source	Reference
BP (functional)	> 20 mmHg	Antihypertensive effect in spontaneously hypertensive rat (SHR), expressed as fall in blood pressure (BP) at 50 mg/kg dose given orally	ChEMBL.	7452695

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 42015