TDR Targets

Basic information

Technical information

TDR Targets ID: 684949
Name: N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2 -methylsulfonylbenzamide
MW: 361.348 | Formula: C16H12FN3O4S
H donors: 1 H acceptors: 5 LogP: 1.92 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)c1nnc(o1)NC(=O)c1ccccc1S(=O)(=O)C
InChi: 1S/C16H12FN3O4S/c1-25(22,23)13-5-3-2-4-12(13)14(21)18-16-20-19-15(24-16)10-6-8-11(17)9-7-10/h2-9H,1H3,(H,18,20,21)
InChiKey: HPEKQCSXVCNNKJ-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

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonyl-benzamide
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-mesyl-benzamide
ZINC04517789

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
Loa Loa (eye worm)	6-phosphofructokinase	0.011	0.0473	0.1921
Echinococcus multilocularis	phenylalanyl tRNA synthetase	0.0186	0.0884	0.3662
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.041	0.2095	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0138	0.0255
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.019	0.0908	0.3761
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.011	0.0473	0.2115
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit alpha	0.187	1	1
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0138	0.0659
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0138	0.0659
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0127	0.0201
Toxoplasma gondii	Ferredoxin-fold anticodon binding domain-containing protein	0.0186	0.0884	0.4112
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.0473	0.2115
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0186	0.0884	0.4112
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0055	0.0174	0.0722
Echinococcus granulosus	histone acetyltransferase MYST2	0.0055	0.0174	0.0722
Echinococcus granulosus	polycomb protein SCMH1	0.0048	0.0138	0.0572
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0127	0.0527
Echinococcus granulosus	neuropeptide receptor A26	0.0469	0.2413	1
Echinococcus multilocularis	6 phosphofructokinase	0.011	0.0473	0.1959
Schistosoma mansoni	6-phosphofructokinase	0.011	0.0473	0.2256
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0127	0.0527
Brugia malayi	6-phosphofructokinase	0.011	0.0473	0.2207
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0048	0.0138	0.0572
Plasmodium falciparum	phenylalanine--tRNA ligase alpha subunit	0.041	0.2095	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0127	0.0527
Onchocerca volvulus		0.0048	0.0138	0.5
Entamoeba histolytica	phosphofructokinase, putative	0.011	0.0473	0.2115
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0048	0.0138	0.5
Entamoeba histolytica	phenylalanyl-tRNA synthetase alpha subunit, putative	0.041	0.2095	1
Echinococcus multilocularis	neuropeptide s receptor	0.0469	0.2413	1
Echinococcus multilocularis	polycomb protein SCMH1	0.0048	0.0138	0.0572
Schistosoma mansoni	6-phosphofructokinase	0.011	0.0473	0.2256
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0048	0.0138	0.0659
Echinococcus granulosus	neuropeptide s receptor	0.0469	0.2413	1
Echinococcus granulosus	SAM and MBT domain containing protein	0.0048	0.0138	0.0572
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0055	0.0174	0.0722
Brugia malayi	Bromodomain containing protein	0.0076	0.0288	0.132
Brugia malayi	6-phosphofructokinase	0.011	0.0473	0.2207
Schistosoma mansoni	hypothetical protein	0.0294	0.1467	0.7002
Brugia malayi	Bromodomain containing protein	0.0039	0.0086	0.0353
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.041	0.2095	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.011	0.0117
Leishmania major	phenylalanyl-tRNA synthetase alpha chain, putative	0.041	0.2095	1
Treponema pallidum	phenylalanyl-tRNA synthetase subunit alpha	0.041	0.2095	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.006	0.0204	0.0845
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.187	1	1
Loa Loa (eye worm)	hypothetical protein	0.041	0.2095	1
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0186	0.0884	0.4112
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0127	0.0549
Trypanosoma cruzi	phenylalanyl-tRNA synthetase alpha chain, putative	0.041	0.2095	1
Brugia malayi	phenylalanyl-tRNA synthetase, mitochondrial precursor, putative	0.0186	0.0884	0.4181
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0135	0.0606	0.289
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0055	0.0174	0.0831
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.0473	0.2115
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0135	0.0606	0.2761
Brugia malayi	mbt repeat family protein	0.0048	0.0138	0.06
Plasmodium vivax	phenylalanine--tRNA ligase alpha subunit, putative	0.041	0.2095	1
Schistosoma mansoni	phenylalanyl-tRNA synthetase mitochondrial	0.0186	0.0884	0.4217
Echinococcus multilocularis	neuropeptide receptor A26	0.0469	0.2413	1
Loa Loa (eye worm)	mbt repeat family protein	0.0048	0.0138	0.0255
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0073	0.0304
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0127	0.0607
Echinococcus multilocularis	phenylalanyl tRNA synthetase alpha chain B	0.041	0.2095	0.8683
Trypanosoma brucei	phenylalanyl-tRNA synthetase alpha chain, putative	0.041	0.2095	1
Brugia malayi	phosphofructokinase	0.011	0.0473	0.2207
Loa Loa (eye worm)	phosphofructokinase	0.011	0.0473	0.1921
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0127	0.0527
Entamoeba histolytica	phosphofructokinase, putative	0.011	0.0473	0.2115
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0154	0.0708	0.3257
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.006	0.0204	0.0845
Brugia malayi	mbt repeat family protein	0.0048	0.0138	0.06
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0127	0.0607
Giardia lamblia	Phenylalanyl-tRNA synthetase alpha chain	0.041	0.2095	1
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.019	0.0908	0.3761
Echinococcus granulosus	6 phosphofructokinase	0.011	0.0473	0.1959
Wolbachia endosymbiont of Brugia malayi	phenylalanyl-tRNA synthetase subunit alpha	0.187	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0174	0.0435
Brugia malayi	phenylalanyl (f) trna synthetase protein 1	0.041	0.2095	1
Schistosoma mansoni	bromodomain containing protein	0.0064	0.0223	0.1067
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0135	0.0606	0.2761
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.0473	0.2115
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0135	0.0606	0.2761
Mycobacterium leprae	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.0275	0.1366	1
Echinococcus granulosus	phenylalanyl tRNA synthetase	0.0186	0.0884	0.3662
Loa Loa (eye worm)	6-phosphofructokinase	0.011	0.0473	0.1921
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0127	0.0607
Echinococcus granulosus	phenylalanyl tRNA synthetase alpha chain B	0.041	0.2095	0.8683
Loa Loa (eye worm)	MBCTL1	0.0055	0.0174	0.0435
Entamoeba histolytica	phosphofructokinase, putative	0.011	0.0473	0.2115
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0055	0.0174	0.0722
Toxoplasma gondii	phenylalanyl-tRNA synthetase alpha chain A, putative	0.041	0.2095	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0055	0.0174	0.0774
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0264	0.0884
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.0473	0.2115
Loa Loa (eye worm)	phenylalanyl-tRNA synthetase	0.0186	0.0884	0.3967
Loa Loa (eye worm)	hypothetical protein	0.0041	0.01	0.0065
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0073	0.0304

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.

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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 684949