TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 412.48 | Formula: C21H21FN4O2S
H donors: 1 H acceptors: 4 LogP: 3.43 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)c1ccc(nn1)N1CCCCC1
InChi: 1S/C21H21FN4O2S/c22-17-5-4-6-19(15-17)29(27,28)25-18-9-7-16(8-10-18)20-11-12-21(24-23-20)26-13-2-1-3-14-26/h4-12,15,25H,1-3,13-14H2
InChiKey: QODLTZOUVYUQCY-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	neutral amino acid transporter A	0.1018	1	1
Treponema pallidum	glutamate/aspartate transporter	0.0451	0.4298	1
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0124	0.1005
Mycobacterium tuberculosis	Probable C4-dicarboxylate-transport transmembrane protein DctA	0.1018	1	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0124	0.0124
Toxoplasma gondii	peptidylprolyl isomerase	0.0034	0.0095	0.2543
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0375	0.0275
Echinococcus granulosus	lysosomal alpha glucosidase	0.0165	0.1414	0.1324
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0124	0.0021
Echinococcus multilocularis	muscleblind protein	0.0151	0.1276	0.1185
Schistosoma mansoni	tsg101-related	0.006	0.0357	0.0256
Echinococcus multilocularis	neutral amino acid transporter excitatory amino acid transporter	0.1018	1	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0111	0.0874	0.0874
Toxoplasma gondii	ABC1 family protein	0.0036	0.0124	0.3307
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0124	0.1005
Brugia malayi	glutathione reductase	0.0049	0.0247	0.0145
Trichomonas vaginalis	esterase, putative	0.0036	0.0124	0.0107
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0037	0.0126	0.0022
Leishmania major	trypanothione reductase	0.0049	0.0247	0.6585
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0037	0.0126	0.0022
Echinococcus granulosus	L aminoadipate semialdehyde	0.0085	0.0618	0.052
Schistosoma mansoni	solute carrier family 1 (glial high affinity glutamate transporter	0.1018	1	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0111	0.0874	0.0874
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0124	0.0021
Brugia malayi	follicle stimulating hormone receptor	0.0234	0.2112	0.203
Chlamydia trachomatis	neutral amino acid transporter	0.0451	0.4298	0.4298
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.0696	0.0599
Echinococcus multilocularis	neutral amino acid transporter excitatory amino acid transporter	0.0451	0.4298	0.4238
Loa Loa (eye worm)	glutathione reductase	0.0049	0.0247	0.0145
Echinococcus granulosus	sodium:dicarboxylate symporter	0.1018	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.0972	0.0877
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0123	0.0998	0.0998
Echinococcus granulosus	geminin	0.0174	0.151	0.1422
Plasmodium vivax	glutathione reductase, putative	0.0049	0.0247	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0111	0.0874	0.0874
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0124	0.0021
Echinococcus granulosus	muscleblind protein	0.0151	0.1276	0.1185
Brugia malayi	beta-lactamase family protein	0.0036	0.0124	0.0021
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0232	0.2096	0.2096
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0124	0.0107
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.03	0.2781	1
Schistosoma mansoni	hypothetical protein	0.0174	0.151	0.1422
Echinococcus multilocularis	neutral amino acid transporter A	0.1018	1	1
Leishmania major	hypothetical protein, conserved	0.0036	0.0124	0.3307
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0477	0.0378
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0037	0.0126	0.0022
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0124	0.1005
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0034	0.0095	0.2543
Schistosoma mansoni	tsg101-related	0.006	0.0357	0.0256
Echinococcus multilocularis	neutral amino acid transporter A	0.1018	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0124	0.189
Schistosoma mansoni	tsg101-related	0.0049	0.0247	0.0145
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0037	0.0126	0.3347
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0123	0.0998	0.0998
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.0696	0.0599
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.0375	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0124	0.0124
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0147	0.1235	1
Echinococcus multilocularis	Excitatory amino acid transporter	0.1018	1	1
Chlamydia trachomatis	glutamate symporter	0.1018	1	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0165	0.1414	0.1324
Leishmania major	alpha glucosidase II subunit, putative	0.0037	0.0126	0.3347
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.0375	0.0275
Echinococcus multilocularis	sodium:dicarboxylate symporter	0.1018	1	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0124	0.0124
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.0696	0.0599
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.0696	0.0599
Echinococcus multilocularis	Excitatory amino acid transporter	0.1018	1	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0123	0.0998	0.8084
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0126	0.0112
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0111	0.0874	0.7076
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0124	0.0021
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.03	0.2781	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.03	0.2781	1
Brugia malayi	MH2 domain containing protein	0.0121	0.0972	0.0877
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0124	0.0021
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0037	0.0126	0.0112
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0124	0.0124
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0375	0.304
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0126	0.0112
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0124	0.0124
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0124	0.0021
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0375	0.0275
Schistosoma mansoni	sodium/dicarboxylate symporter-related	0.0451	0.4298	0.4238
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0126	0.0112
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0126	0.0452
Echinococcus multilocularis	excitatory amino acid transporter 3	0.1018	1	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0124	0.0021
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0124	0.0021
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.0696	0.0599
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0124	0.0124
Wolbachia endosymbiont of Brugia malayi	Na+/H+-dicarboxylate symporter	0.1018	1	1
Treponema pallidum	glutamate transporter	0.0451	0.4298	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0165	0.1414	0.1324
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0111	0.0874	0.0874
Trichomonas vaginalis	rotamase, putative	0.0034	0.0104	0.003
Echinococcus granulosus	excitatory amino acid transporter 2	0.1018	1	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0124	0.0124
Echinococcus multilocularis	tumor susceptibility gene 101 protein	0.0071	0.0477	0.0378
Treponema pallidum	fructose-bisphosphate aldolase	0.03	0.2781	0.647
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.03	0.2781	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.03	0.2781	1
Echinococcus multilocularis	geminin	0.0174	0.151	0.1422
Trichomonas vaginalis	hypothetical protein	0.0035	0.0108	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0124	0.0021
Brugia malayi	hypothetical protein	0.0071	0.0477	0.0378
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0126	0.0112
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0375	0.304
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0049	0.0247	0.0145
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.0696	0.0599
Brugia malayi	beta-lactamase family protein	0.0036	0.0124	0.0021
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.03	0.2781	1
Onchocerca volvulus		0.0085	0.0618	0.05
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0124	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1276	0.1185
Toxoplasma gondii	thioredoxin reductase	0.0049	0.0247	0.6585
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0085	0.0618	0.052
Echinococcus multilocularis	excitatory amino acid transporter 2	0.1018	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0104	0.003
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0124	0.0021
Trypanosoma brucei	glucosidase, putative	0.0037	0.0126	0.5083
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0126	0.1989
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0124	0.0107
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.0375	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.0375	0.0275
Schistosoma mansoni	alpha glucosidase	0.0037	0.0126	0.0022
Brugia malayi	Thioredoxin reductase	0.0049	0.0247	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0618	0.052
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.0696	0.0599
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.0375	0.0375
Onchocerca volvulus	Excitatory amino acid transporter homolog	0.1018	1	1
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0034	0.0095	0.0343
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0124	0.0021
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.0696	0.0599
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0049	0.0247	0.0247
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0126	0.0452
Schistosoma mansoni	sodium/dicarboxylate symporter-related	0.0451	0.4298	0.4238
Echinococcus granulosus	tumor susceptibility gene 101 protein	0.0071	0.0477	0.0378
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0085	0.0618	0.052
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0085	0.0618	0.052
Mycobacterium tuberculosis	Probable oxidoreductase	0.0123	0.0998	0.0998
Echinococcus granulosus	neutral amino acid transporter A	0.1018	1	1
Entamoeba histolytica	tumor susceptibility gene 101 protein, putative	0.0049	0.0247	0.089
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0126	0.0112
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0126	0.0112
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0165	0.1414	0.1324
Schistosoma mansoni	hypothetical protein	0.0174	0.151	0.1422
Echinococcus granulosus	neutral amino acid transporter	0.1018	1	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.03	0.2781	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0111	0.0874	0.0874
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0147	0.1235	1
Echinococcus granulosus	excitatory amino acid transporter 2	0.1018	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.03	0.2781	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0124	0.0021
Plasmodium vivax	thioredoxin reductase, putative	0.0049	0.0247	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0234	0.2112	0.203
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0124	0.5022
Echinococcus granulosus	neutral alpha glucosidase AB	0.0037	0.0126	0.0022
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0034	0.0095	0.3862
Echinococcus granulosus	Excitatory amino acid transporter	0.1018	1	1
Onchocerca volvulus		0.0095	0.0716	0.0599
Loa Loa (eye worm)	thioredoxin reductase	0.0049	0.0247	0.0145
Mycobacterium ulcerans	lipase LipD	0.0036	0.0124	0.1005
Brugia malayi	Muscleblind-like protein	0.0151	0.1276	0.1185
Schistosoma mansoni	alpha-glucosidase	0.0142	0.1184	0.1091
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0124	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1276	0.1185
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0124	0.0124
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0124	0.0107
Echinococcus multilocularis	muscleblind protein 1	0.0151	0.1276	0.1185
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0124	0.0021
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0124	0.0124
Echinococcus multilocularis	sodium:dicarboxylate symporter	0.0451	0.4298	0.4238
Echinococcus granulosus	excitatory amino acid transporter 3	0.1018	1	1
Plasmodium falciparum	thioredoxin reductase	0.0049	0.0247	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0147	0.1235	0.1235
Echinococcus granulosus	thioredoxin glutathione reductase	0.0049	0.0247	0.0145
Brugia malayi	beta-lactamase	0.0036	0.0124	0.0021
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.03	0.2781	1
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0037	0.0126	0.0112
Loa Loa (eye worm)	excitatory amino acid transporter	0.1018	1	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0126	0.0112
Echinococcus granulosus	Excitatory amino acid transporter	0.1018	1	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0165	0.1414	0.1324
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.0972	0.0877
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.0696	0.0599
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0126	0.1989
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0124	0.1005
Echinococcus multilocularis	excitatory amino acid transporter 2	0.1018	1	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0124	0.0107
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0375	0.304
Echinococcus granulosus	neutral amino acid transporter A	0.1018	1	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0124	0.1005
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0124	0.1005
Trypanosoma brucei	trypanothione reductase	0.0049	0.0247	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.03	0.2781	0.5
Mycobacterium tuberculosis	Probable reductase	0.0111	0.0874	0.0874
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.03	0.2781	1
Schistosoma mansoni	alpha-glucosidase	0.0142	0.1184	0.1091
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0124	0.189
Trypanosoma cruzi	trypanothione reductase, putative	0.0049	0.0247	1
Plasmodium falciparum	glutathione reductase	0.0049	0.0247	1
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0124	0.5022

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 700407