TDR Targets

Basic information

Technical information

TDR Targets ID: 1275637
Name: 3-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-o xadiazol-2-yl]pyridine
MW: 287.312 | Formula: C14H10FN3OS
H donors: 0 H acceptors: 3 LogP: 2.78 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)CSc1nnc(o1)c1cccnc1
InChi: 1S/C14H10FN3OS/c15-12-5-3-10(4-6-12)9-20-14-18-17-13(19-14)11-2-1-7-16-8-11/h1-8H,9H2
InChiKey: FGPXIWLAQJRWJR-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

3-[5-[(4-fluorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]pyridine
3-[5-[(4-fluorobenzyl)thio]-1,3,4-oxadiazol-2-yl]pyridine
ZINC00905513
ASN 04046432
MLS000709813
SMR000286980
3-[5-(4-Fluoro-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.1117	0.0911
Schistosoma mansoni	zinc finger protein	0.0006	0.0226	0.0226
Schistosoma mansoni	lamin	0.0028	0.3337	0.3337
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.3337	0.3183
Echinococcus granulosus	tar DNA binding protein	0.0076	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.1117	0.0911
Brugia malayi	hypothetical protein	0.0006	0.0322	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1316	0.1115
Schistosoma mansoni	cpg binding protein	0.0029	0.3399	0.3399
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.033	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.1117	0.1117
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.1117	0.0911
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.1117	0.1117
Brugia malayi	TAR-binding protein	0.0076	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1117	0.0911
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.0322	0.0322
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.1117	0.0911
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.033	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.1117	0.0911
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.033	0.5
Brugia malayi	CXXC zinc finger family protein	0.0029	0.3399	0.3246
Brugia malayi	RNA recognition motif domain containing protein	0.0076	1	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0659	0.0442
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.1117	0.0911
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.1117	0.0911
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1117	0.0911
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0659	0.0442
Schistosoma mansoni	tar DNA-binding protein	0.0076	1	1
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0417	0.0195
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0417	0.0195
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.1117	0.1117
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0322	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1117	0.0911
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.033	0.5
Schistosoma mansoni	cpg binding protein	0.003	0.3626	0.3626
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	1	1
Echinococcus granulosus	intermediate filament protein	0.0028	0.3337	0.3183
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.1117	0.1117
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.3399	0.3246
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.1117	0.1117
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0417	0.0417
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.1117	0.0911
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.033	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.1117	0.0911
Schistosoma mansoni	tar DNA-binding protein	0.0076	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.1117	0.0911
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1244	0.1042
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0643	0.0426
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.1117	0.1117
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.1117	0.0911
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.7848	0.7848
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.1117	0.0911
Echinococcus granulosus	lamin	0.0028	0.3337	0.3183
Brugia malayi	hypothetical protein	0.0006	0.0322	0.0098
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.1117	0.2807
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.033	0.5
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0322	0.0098
Schistosoma mansoni	nuclear hormone receptor	0.0006	0.0226	0.0226
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.1117	0.0911
Echinococcus multilocularis	lamin	0.0028	0.3337	0.3183
Echinococcus multilocularis	cpg binding protein	0.003	0.3626	0.3478
Schistosoma mansoni	nuclear receptor nhr-48	0.0006	0.0226	0.0226
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.1117	0.0911
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.1117	0.0911
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.033	0.5
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0322	0.0098
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.1117	0.0911
Brugia malayi	ecdysteroid receptor	0.0012	0.1117	0.0911
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.1117	0.0911
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.1117	0.1117
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1117	0.0911
Onchocerca volvulus		0.0012	0.1117	0.2807
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0322	0.0098
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.033	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.3337	0.3183
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.1117	0.0911
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.1117	0.0911
Brugia malayi	steroid hormone receptor	0.0012	0.1117	0.0911
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1117	0.0911
Echinococcus granulosus	cpg binding protein	0.003	0.3626	0.3478
Echinococcus multilocularis	tar DNA binding protein	0.0076	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.033	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.1117	0.0911
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.1117	0.0911
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1117	0.0911
Brugia malayi	nuclear receptor NHR-88	0.0012	0.1117	0.0911
Onchocerca volvulus		0.0029	0.3399	1
Schistosoma mansoni	cpg binding protein	0.003	0.3626	0.3626
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.1117	0.0911
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.0322	0.0098
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0006	0.0322	0.0098
Echinococcus multilocularis	lamin dm0	0.0028	0.3337	0.3183
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.1117	0.1117
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.1523	0.1327
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0417	0.0195
Schistosoma mansoni	tar DNA-binding protein	0.0076	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1117	0.0911
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.3337	0.3183
Schistosoma mansoni	intermediate filament proteins	0.0028	0.3337	0.3337
Trichomonas vaginalis	helicase, putative	0.0007	0.033	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.1117	0.0911
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.1117	0.0911
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.1117	0.0911
Echinococcus multilocularis	musashi	0.0028	0.3337	0.3183
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.033	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.0322	0.0322
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.1117	0.1117
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.033	0.5
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.1117	0.0911
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.1117	0.1117
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.033	0.5
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.1316	0.1115
Schistosoma mansoni	coup transcription factor	0.0012	0.1117	0.1117
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.1117	0.0911
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.1316	0.1115
Schistosoma mansoni	lamin	0.0028	0.3337	0.3337
Brugia malayi	nuclear receptor RXR	0.0006	0.0322	0.0098
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0659	0.0442
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.1117	0.1117
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0006	0.0226	0.0226
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.1117	0.0911
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.1117	0.0911
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.1117	0.0911
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.033	0.5
Onchocerca volvulus		0.0028	0.3337	0.9803
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.033	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.1117	0.0911
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.1523	0.1327
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.1117	0.0911
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.033	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.1117	0.0911
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.1117	0.0911
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.1117	0.0911
Brugia malayi	nuclear hormone receptor	0.0012	0.1117	0.0911
Onchocerca volvulus		0.0028	0.3337	0.9803
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.033	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.1117	0.0911
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.1117	0.0911
Schistosoma mansoni	nuclear receptor	0.0006	0.0226	0.0226
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.6949	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.0322	0.0098
Schistosoma mansoni	nuclear hormone receptor	0.0006	0.0226	0.0226
Loa Loa (eye worm)	RNA binding protein	0.0076	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0322	0.0098
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.1117	0.0911
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1117	0.0911
Brugia malayi	intermediate filament protein	0.0028	0.3337	0.3183
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.1117	0.2807
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0417	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0028	0.3265	0.3109
Loa Loa (eye worm)	hypothetical protein	0.0028	0.3337	0.3183
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.1117	0.0911
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0006	0.0226	0.0226
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.1117	0.0911
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.1117	0.1117
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0322	0.0098
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.033	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.1117	0.0911
Loa Loa (eye worm)	TAR-binding protein	0.0076	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0322	0.0098
Echinococcus granulosus	lamin dm0	0.0028	0.3337	0.3183
Schistosoma mansoni	nuclear receptor	0.0006	0.0226	0.0226
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.1117	0.0911
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1244	0.1042
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.1117	0.2807

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 8.9125 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	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)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1374333

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 1275637