TDR Targets

Basic information

Technical information

TDR Targets ID: 1559563
Name: [1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiaz ol-5-yl]methyl]piperidin-3-yl]-thiophen-2-ylm ethanone
MW: 385.455 | Formula: C20H20FN3O2S
H donors: 0 H acceptors: 3 LogP: 3.92 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cccs1)C1CCCN(C1)Cc1onc(n1)Cc1ccccc1F
InChi: 1S/C20H20FN3O2S/c21-16-7-2-1-5-14(16)11-18-22-19(26-23-18)13-24-9-3-6-15(12-24)20(25)17-8-4-10-27-17/h1-2,4-5,7-8,10,15H,3,6,9,11-13H2
InChiKey: QFCQJZIAPVGJBT-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

[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-piperidyl]-(2-thienyl)methanone
[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-piperidinyl]-(2-thienyl)methanone
[1-[[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl]-3-piperidyl]-(2-thienyl)methanone
[1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-thiophen-2-yl-methanone
(1-{[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-3-yl)(2-thienyl)methanone
MLS000734739
SMR000317572

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)	beta-LACTamase domain containing family member	0.0035	0.0081	0.0964
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0169	0.2233
Brugia malayi	hypothetical protein	0.0122	0.0628	0.8833
Loa Loa (eye worm)	hypothetical protein	0.0034	0.007	0.0815
Brugia malayi	Glutamate receptor 1 precursor	0.0028	0.0031	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0081	0.0964
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0026	0.0022	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0081	0.0081
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.071	0.3087
Brugia malayi	Glutamate receptor 2 precursor	0.0028	0.0031	0.0257
Echinococcus granulosus	glutamate receptor 2	0.0033	0.0065	0.029
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0026	0.0022	0.5
Onchocerca volvulus	Huntingtin homolog	0.0122	0.0628	1
Brugia malayi	beta-lactamase	0.0035	0.0081	0.0964
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0081	0.0189
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0081	1
Leishmania major	hypothetical protein, conserved	0.0035	0.0081	0.5352
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0081	0.5
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0036	0.0087	0.0087
Loa Loa (eye worm)	TAR-binding protein	0.0135	0.071	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0139	0.18
Schistosoma mansoni	hypothetical protein	0.0374	0.2228	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0033	0.0065	0.029
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0081	0.5352
Toxoplasma gondii	ABC1 family protein	0.0035	0.0081	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0081	0.0964
Brugia malayi	beta-lactamase family protein	0.0035	0.0081	0.0964
Brugia malayi	RNA binding protein	0.0135	0.071	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0044	0.0139	1
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0081	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0628	0.8833
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.071	0.3087
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0081	0.0189
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0081	0.5352
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0081	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0081	0.0964
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0033	0.0065	0.029
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0081	0.0964
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0033	0.0065	0.0065
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0081	0.5
Echinococcus granulosus	tar DNA binding protein	0.0135	0.071	0.3185
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0026	0.0022	0.5
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0628	0.8833
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0081	1
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.0055	0.6191
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0081	0.0189
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0226	0.1286	0.4101
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0033	0.0065	0.0065
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0081	0.0964
Echinococcus multilocularis	geminin	0.0374	0.2228	0.2228
Echinococcus granulosus	nmda type glutamate receptor	0.0036	0.0087	0.0391
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0169	0.2233
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0081	0.5352
Schistosoma mansoni	hypothetical protein	0.0374	0.2228	1
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0028	0.0031	0.0031
Loa Loa (eye worm)	glutamate receptor 2	0.0028	0.0031	0.0257
Brugia malayi	ImpB/MucB/SamB family protein	0.0044	0.0139	0.18
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0081	0.0189
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0081	0.0224
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0081	0.0189
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0081	0.0224
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0081	0.0362
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0081	0.0189
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0081	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0081	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0081	0.0964
Brugia malayi	beta-lactamase family protein	0.0035	0.0081	0.0964
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0033	0.0065	0.0065
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0135	0.071	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0081	0.0189
Echinococcus multilocularis	glutamate receptor 2	0.0028	0.0031	0.0031
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.071	0.3087
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.071	0.3087
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0169	0.2233
Chlamydia trachomatis	glutamine binding protein	0.0026	0.0022	0.5
Echinococcus multilocularis	glutamate receptor 2	0.0033	0.0065	0.0065
Schistosoma mansoni	hypothetical protein	0.0034	0.007	0.0177
Trichomonas vaginalis	esterase, putative	0.0035	0.0081	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.007	0.0815
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0014	0.5
Onchocerca volvulus	Huntingtin homolog	0.0122	0.0628	1
Schistosoma mansoni	DNA polymerase eta	0.0044	0.0139	0.0489
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0033	0.0065	0.0065
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0081	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0081	0.0964
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0081	0.0189
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0028	0.0031	0.0141
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0081	0.0189
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0081	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0135	0.071	1
Echinococcus multilocularis	dna polymerase eta	0.0044	0.0139	0.0139
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0033	0.0065	0.029
Echinococcus multilocularis	nmda type glutamate receptor	0.0036	0.0087	0.0087
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0081	0.0189
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0081	1
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.071	0.3087
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0081	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0081	0.0964
Mycobacterium ulcerans	lipase LipD	0.0035	0.0081	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0014	0.5
Loa Loa (eye worm)	glutamate receptor 1	0.0028	0.0031	0.0257
Leishmania major	DNA polymerase eta, putative	0.0044	0.0139	1
Echinococcus granulosus	dna polymerase eta	0.0044	0.0139	0.0623
Echinococcus multilocularis	tar DNA binding protein	0.0135	0.071	0.071
Mycobacterium tuberculosis	Possible exported protein	0.0512	0.3103	1
Leishmania major	DNA polymerase eta, putative	0.0031	0.0055	0.3313
Loa Loa (eye worm)	RNA binding protein	0.0135	0.071	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0031	0.0055	0.3313
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0033	0.0065	0.029
Trypanosoma brucei	DNA polymerase eta, putative	0.0044	0.0139	1
Echinococcus granulosus	geminin	0.0374	0.2228	1
Brugia malayi	TAR-binding protein	0.0135	0.071	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0169	0.2233
Schistosoma mansoni	glutamate receptor NMDA	0.0033	0.0065	0.0151

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.0418 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	29.081 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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

ChEMBL: CHEMBL1729172

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1559563