TDR Targets

Basic information

Technical information

TDR Targets ID: 686523
Name: ZINC05043428
MW: 410.461 | Formula: C22H19FN2O3S
H donors: 0 H acceptors: 3 LogP: 4.45 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc(cc1)N1C(=O)N(Cc2ccccc2F)c2c(S1(=O)=O)cccc2
InChi: 1S/C22H19FN2O3S/c1-2-16-11-13-18(14-12-16)25-22(26)24(15-17-7-3-4-8-19(17)23)20-9-5-6-10-21(20)29(25,27)28/h3-14H,2,15H2,1H3
InChiKey: LNFKLLAOZCBKIM-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
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.1943	0.7318	0.9041
Mycobacterium tuberculosis	Conserved protein	0.0114	0.028	0.0817
Trypanosoma brucei	hypothetical protein, conserved	0.0114	0.028	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0114	0.028	0.1357
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0071	0.0076
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0106	0.0115
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0202	0.0619	0.0619
Mycobacterium tuberculosis	Conserved protein	0.0114	0.028	0.0817
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0202	0.0619	0.0619
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0202	0.0619	0.0619
Schistosoma mansoni	tyrosine kinase	0.0202	0.0619	0.0671
Echinococcus multilocularis	glutamate receptor 2	0.0202	0.0619	0.0619
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0202	0.0619	0.0619
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0062	0.0082	0.0089
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.055	0.1958	0.1958
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.0106	0.0106
Echinococcus multilocularis	neuropeptide s receptor	0.0512	0.1813	0.1813
Echinococcus granulosus	glutamate receptor 2	0.0202	0.0619	0.0619
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0202	0.0619	0.0764
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0106	0.0115
Loa Loa (eye worm)	hypothetical protein	0.264	1	1
Loa Loa (eye worm)	hypothetical protein	0.0202	0.0619	0.0619
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0202	0.0619	0.0619
Echinococcus multilocularis	neuropeptide receptor A26	0.0512	0.1813	0.1813
Trichomonas vaginalis	D-aminoacylase, putative	0.0114	0.028	0.1357
Echinococcus granulosus	neuropeptide s receptor	0.0512	0.1813	0.1813
Echinococcus granulosus	GPCR family 3 C terminal	0.0348	0.1182	0.1182
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0202	0.0619	0.0619
Mycobacterium tuberculosis	Probable hydrolase	0.0114	0.028	0.0817
Brugia malayi	hypothetical protein	0.0202	0.0619	0.0764
Mycobacterium ulcerans	hypothetical protein	0.0114	0.028	1
Loa Loa (eye worm)	hypothetical protein	0.0465	0.1633	0.1633
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.006	0.0074	0.0074
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0202	0.0619	0.0619
Echinococcus multilocularis	nmda type glutamate receptor	0.0202	0.0619	0.0619
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0054	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0067	0.0067
Onchocerca volvulus	Huntingtin homolog	0.0136	0.0365	0.2093
Echinococcus granulosus	beta LACTamase domain containing family member	0.0114	0.028	0.028
Echinococcus granulosus	tar DNA binding protein	0.0068	0.0106	0.0106
Echinococcus multilocularis	tyrosine kinase	0.0202	0.0619	0.0619
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0202	0.0619	0.3548
Brugia malayi	beta-lactamase family protein	0.0114	0.028	0.0346
Brugia malayi	beta-lactamase family protein	0.0114	0.028	0.0346
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0114	0.028	1
Loa Loa (eye worm)	hypothetical protein	0.0348	0.1182	0.1182
Brugia malayi	Metabotropic glutamate receptor precursor.	0.2144	0.8093	1
Echinococcus granulosus	receptor type guanylyl cyclase	0.0202	0.0619	0.0619
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0062	0.0082	0.0082
Schistosoma mansoni	metabotropic glutamate receptor	0.1796	0.6754	0.7322
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.264	1	1
Mycobacterium tuberculosis	Conserved protein	0.0114	0.028	0.0817
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.0106	0.0106
Echinococcus granulosus	metabotropic glutamate receptor 2	0.1796	0.6754	0.6754
Trichomonas vaginalis	penicillin-binding protein, putative	0.0114	0.028	0.1357
Brugia malayi	beta-lactamase	0.0114	0.028	0.0346
Toxoplasma gondii	ABC1 family protein	0.0114	0.028	1
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.055	0.1958	0.1958
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0062	0.0082	0.0082
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.0379	0.0379
Loa Loa (eye worm)	glutamate receptor	0.2144	0.8093	0.8093
Schistosoma mansoni	protein kinase	0.0202	0.0619	0.0671
Onchocerca volvulus	Poor gastrulation protein homolog	0.0348	0.1182	0.6779
Onchocerca volvulus		0.0114	0.028	0.1606
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0202	0.0619	0.0619
Echinococcus granulosus	caspase 2	0.0058	0.0067	0.0067
Brugia malayi	Muscleblind-like protein	0.0465	0.1633	0.2018
Echinococcus granulosus	histone lysine methyltransferase setb	0.0062	0.0082	0.0082
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0139	0.0379	0.0469
Loa Loa (eye worm)	RNA binding protein	0.0068	0.0106	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0202	0.0619	0.0619
Echinococcus granulosus	nmda type glutamate receptor	0.0202	0.0619	0.0619
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.2438	0.9224	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.0379	0.0379
Trichomonas vaginalis	set domain proteins, putative	0.0494	0.1744	1
Onchocerca volvulus	Metabotropic glutamate receptor homolog	0.0348	0.1182	0.6779
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.0379	0.0411
Brugia malayi	TAR-binding protein	0.0068	0.0106	0.0131
Echinococcus granulosus	neuropeptide receptor A26	0.0512	0.1813	0.1813
Onchocerca volvulus		0.0202	0.0619	0.3548
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0202	0.0619	0.0619
Plasmodium vivax	hypothetical protein, conserved	0.0114	0.028	1
Echinococcus multilocularis	muscleblind protein	0.0465	0.1633	0.1633
Schistosoma mansoni	metabotropic glutamate receptor	0.1045	0.3864	0.4189
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0114	0.028	0.0817
Brugia malayi	Pre-SET motif family protein	0.0062	0.0082	0.0102
Brugia malayi	Receptor family ligand binding region containing protein	0.055	0.1958	0.2419
Onchocerca volvulus		0.0494	0.1744	1
Giardia lamblia	Kinase, CMGC MAPK	0.0054	0.005	0.5
Loa Loa (eye worm)	hypothetical protein	0.0202	0.0619	0.0619
Brugia malayi	RNA binding protein	0.0068	0.0106	0.0131
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.0106	0.0131
Schistosoma mansoni	serine/threonine protein kinase	0.0054	0.005	0.0054
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.0379	0.0411
Brugia malayi	Cell death protein 3 precursor	0.0058	0.0067	0.0083
Mycobacterium leprae	Probable lipase LipE	0.0114	0.028	0.5
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0062	0.0082	0.1409
Trypanosoma cruzi	hypothetical protein, conserved	0.0114	0.028	0.4043
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0202	0.0619	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0114	0.028	0.028
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0726	0.2635	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0114	0.028	0.0346
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0071	0.0889
Brugia malayi	MAP kinase sur-1	0.0054	0.005	0.0062
Onchocerca volvulus	Huntingtin homolog	0.0136	0.0365	0.2093
Loa Loa (eye worm)	hypothetical protein	0.0202	0.0619	0.0619
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0062	0.0082	0.0089
Echinococcus multilocularis	caspase 2	0.0058	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0114	0.028	0.028
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0114	0.028	0.0817
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.0106	0.0106
Mycobacterium leprae	conserved hypothetical protein	0.0114	0.028	0.5
Brugia malayi	metabotropic glutamate receptor type 2	0.1045	0.3864	0.4775
Onchocerca volvulus		0.0114	0.028	0.1606
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0114	0.028	0.0304
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0114	0.028	0.0817
Schistosoma mansoni	hypothetical protein	0.0348	0.1182	0.1281
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0114	0.028	0.028
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0106	0.0115
Trichomonas vaginalis	D-aminoacylase, putative	0.0114	0.028	0.1357
Echinococcus granulosus	muscleblind protein	0.0465	0.1633	0.1633
Onchocerca volvulus		0.0202	0.0619	0.3548
Onchocerca volvulus		0.0062	0.0082	0.0473
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0202	0.0619	0.0619
Trypanosoma cruzi	extracellular receptor, putative	0.0202	0.0619	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0054	0.005	0.005
Mycobacterium ulcerans	beta-lactamase	0.0114	0.028	1
Loa Loa (eye worm)	beta-lactamase	0.0114	0.028	0.028
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0071	0.0359
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0202	0.0619	0.0619
Echinococcus granulosus	tyrosine kinase	0.0202	0.0619	0.0619
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0071	0.0076
Onchocerca volvulus	Cell death protein 3 homolog	0.0058	0.0067	0.0387
Schistosoma mansoni	cellular tumor antigen P53	0.0101	0.0232	0.0251
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0114	0.028	0.028
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0434	0.1513	0.1513
Brugia malayi	hypothetical protein	0.0136	0.0365	0.0451
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0114	0.028	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0365	0.0365
Echinococcus granulosus	tumor protein p63	0.069	0.2498	0.2498
Echinococcus multilocularis	muscleblind protein 1	0.0465	0.1633	0.1633
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0139	0.0379	0.0379
Loa Loa (eye worm)	glutamate receptor	0.0844	0.3089	0.3089
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.0379	0.0379
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0071	0.0071
Brugia malayi	Receptor family ligand binding region containing protein	0.0202	0.0619	0.0764
Echinococcus multilocularis	mitogen activated protein kinase	0.0054	0.005	0.005
Echinococcus granulosus	glutamate receptor 2	0.0202	0.0619	0.0619
Entamoeba histolytica	hypothetical protein	0.0202	0.0619	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0114	0.028	0.4043
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0202	0.0619	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0082	0.0082
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0202	0.0619	0.0619
Mycobacterium tuberculosis	Probable lipase LipD	0.0114	0.028	0.0817
Loa Loa (eye worm)	hypothetical protein	0.0114	0.028	0.028
Echinococcus multilocularis	tumor protein p63	0.069	0.2498	0.2498
Loa Loa (eye worm)	hypothetical protein	0.0465	0.1633	0.1633
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0062	0.0082	0.0089
Echinococcus granulosus	mitogen activated protein kinase	0.0054	0.005	0.005
Mycobacterium ulcerans	lipase LipD	0.0114	0.028	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.0379	0.0411
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0348	0.1182	0.1461
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0106	0.0115
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0062	0.0082	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0114	0.028	0.028
Leishmania major	hypothetical protein, conserved	0.0114	0.028	0.4043
Echinococcus multilocularis	glutamate receptor 2	0.0202	0.0619	0.0619
Leishmania major	extracellular receptor, putative	0.0202	0.0619	1
Schistosoma mansoni	caspase-7 (C14 family)	0.0058	0.0067	0.0073
Mycobacterium tuberculosis	Probable esterase LipL	0.0114	0.028	0.0817
Trichomonas vaginalis	D-aminoacylase, putative	0.0114	0.028	0.1357
Echinococcus multilocularis	GPCR, family 3, C terminal	0.0348	0.1182	0.1182
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0202	0.0619	0.0619
Echinococcus granulosus	mitogen activated protein kinase 3	0.0054	0.005	0.005
Trichomonas vaginalis	esterase, putative	0.0114	0.028	0.1357
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0106	0.0115
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.0379	0.0379
Onchocerca volvulus		0.0101	0.0232	0.1328
Schistosoma mansoni	glutamate receptor NMDA	0.0202	0.0619	0.0671
Onchocerca volvulus		0.0114	0.028	0.1606
Mycobacterium ulcerans	esterase/lipase LipP	0.0114	0.028	1
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.1796	0.6754	0.6754
Loa Loa (eye worm)	hypothetical protein	0.055	0.1958	0.1958
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0365	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0202	0.0619	0.0619
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0071	0.0071
Mycobacterium tuberculosis	Probable lipase LipE	0.0114	0.028	0.0817
Loa Loa (eye worm)	hypothetical protein	0.0114	0.028	0.028
Loa Loa (eye worm)	hypothetical protein	0.0114	0.028	0.028
Brugia malayi	Pre-SET motif family protein	0.0434	0.1513	0.1869
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0232	0.0232
Brugia malayi	Guanylyl cyclase protein 23	0.0202	0.0619	0.0764
Loa Loa (eye worm)	hypothetical protein	0.0202	0.0619	0.0619
Schistosoma mansoni	tyrosine kinase	0.0202	0.0619	0.0671
Loa Loa (eye worm)	hypothetical protein	0.0202	0.0619	0.0619

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 686523