TDR Targets

Basic information

Technical information

TDR Targets ID: 625194
Name: 3-fluoro-N-[[4-(4-fluorophenyl)-5-propylsulfa nyl-1,2,4-triazol-3-yl]methyl]benzamide
MW: 388.434 | Formula: C19H18F2N4OS
H donors: 1 H acceptors: 3 LogP: 3.83 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCSc1nnc(n1c1ccc(cc1)F)CNC(=O)c1cccc(c1)F
InChi: 1S/C19H18F2N4OS/c1-2-10-27-19-24-23-17(25(19)16-8-6-14(20)7-9-16)12-22-18(26)13-4-3-5-15(21)11-13/h3-9,11H,2,10,12H2,1H3,(H,22,26)
InChiKey: DSTWPKMKJSCKOR-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-fluoro-N-[[4-(4-fluorophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]benzamide
ZINC04059330
IFLab1_002013
Oprea1_167986

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
Schistosoma mansoni	lipoxygenase	0.0128	0.4794	0.6702
Echinococcus granulosus	Rac GTPase activating protein 1	0.008	0.2761	0.3859
Onchocerca volvulus	Bile acid receptor homolog	0.0027	0.0543	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0027	0.0543	0.0759
Loa Loa (eye worm)	doublecortin family protein	0.0021	0.0295	0.0295
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0027	0.0543	0.0543
Schistosoma mansoni	transcription factor LCR-F1	0.0077	0.2655	0.3712
Schistosoma mansoni	polycystin 1-related	0.0021	0.0295	0.0413
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.0543	0.0759
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.0543	0.0759
Schistosoma mansoni	loxhd1	0.0021	0.0295	0.0413
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.004	0.1084	0.5
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0027	0.0543	0.0759
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0027	0.0543	0.0543
Brugia malayi	nuclear receptor NHR-88	0.0027	0.0543	0.0543
Entamoeba histolytica	hypothetical protein	0.0077	0.2655	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0543	0.0543
Echinococcus multilocularis	Rac GTPase activating protein 1	0.008	0.2761	0.3859
Echinococcus multilocularis	geminin	0.0184	0.7153	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0085	0.2974	0.4157
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.0543	0.0543
Brugia malayi	ecdysteroid receptor	0.0027	0.0543	0.0543
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0027	0.0543	0.0543
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0027	0.0543	0.0543
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0027	0.0543	0.0543
Echinococcus granulosus	RUN	0.0021	0.0295	0.0413
Schistosoma mansoni	rab6-interacting	0.0021	0.0295	0.0413
Entamoeba histolytica	hypothetical protein	0.0077	0.2655	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0027	0.0543	0.0543
Schistosoma mansoni	retinoic acid receptor RXR	0.0027	0.0543	0.0759
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0027	0.0543	0.0759
Giardia lamblia	Rho GAP, putative	0.0069	0.2299	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.2761	0.2761
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0077	0.2655	0.3712
Brugia malayi	nuclear hormone receptor	0.0027	0.0543	0.0543
Echinococcus granulosus	lipoxygenase domain containing protein	0.0021	0.0295	0.0413
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0027	0.0543	0.0759
Brugia malayi	Inositol-1	0.004	0.1084	0.1084
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0027	0.0543	0.0543
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0027	0.0543	0.0759
Echinococcus multilocularis	FTZ F1 alpha	0.0027	0.0543	0.0759
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0036	0.0907	0.1194
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0027	0.0543	0.0759
Schistosoma mansoni	thyroid hormone receptor	0.0027	0.0543	0.0759
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0027	0.0543	0.0759
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0027	0.0543	0.0759
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0027	0.0543	0.0543
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.004	0.1084	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0027	0.0543	0.0759
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0027	0.0543	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0085	0.2974	0.4157
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0027	0.0543	0.0759
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0021	0.0295	0.0413
Loa Loa (eye worm)	hypothetical protein	0.0085	0.2974	0.2974
Brugia malayi	hypothetical protein	0.0077	0.2655	0.2655
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0027	0.0543	0.0759
Schistosoma mansoni	rab6-interacting	0.0021	0.0295	0.0413
Echinococcus granulosus	lipoxygenase domain containing protein	0.0021	0.0295	0.0413
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.1084	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0027	0.0543	0.0759
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0027	0.0543	0.0759
Trichomonas vaginalis	inositol monophosphatase, putative	0.004	0.1084	0.5
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2299	0.2299
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0543	0.0543
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0056	0.174	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0543	0.0543
Echinococcus multilocularis	Polycystic kidney disease protein	0.0021	0.0295	0.0413
Brugia malayi	hypothetical protein	0.0021	0.0295	0.0295
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0027	0.0543	0.0759
Schistosoma mansoni	lipoxygenase	0.009	0.3169	0.443
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0056	0.174	0.4744
Schistosoma mansoni	inositol monophosphatase	0.004	0.1084	0.1515
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0543	0.0543
Brugia malayi	Nuclear hormone receptor-like 1	0.0027	0.0543	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0543	0.0543
Echinococcus multilocularis	RUN	0.0021	0.0295	0.0413
Brugia malayi	RhoGAP domain containing protein	0.008	0.2761	0.2761
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0027	0.0543	0.0759
Echinococcus multilocularis	ecdysone induced protein 78C	0.0027	0.0543	0.0759
Schistosoma mansoni	RAR-like nuclear receptor	0.0027	0.0543	0.0759
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.004	0.1084	0.1949
Brugia malayi	steroid hormone receptor	0.0027	0.0543	0.0543
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0085	0.2974	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0085	0.2974	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.1084	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0027	0.0543	0.0759
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0085	0.2974	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0056	0.174	1
Entamoeba histolytica	hypothetical protein	0.0077	0.2655	1
Echinococcus granulosus	geminin	0.0184	0.7153	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0027	0.0543	1
Schistosoma mansoni	rac gtpase activating protein	0.008	0.2761	0.3859
Schistosoma mansoni	hypothetical protein	0.0184	0.7153	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.004	0.1084	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0077	0.2655	0.3712
Brugia malayi	hypothetical protein	0.0021	0.0295	0.0295
Echinococcus granulosus	Polycystic kidney disease protein	0.0021	0.0295	0.0413
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.0543	0.0759
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0056	0.174	0.2432
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0027	0.0543	0.0543
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0027	0.0543	0.0543
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0085	0.2974	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.0543	0.0543
Schistosoma mansoni	hypothetical protein	0.0077	0.2655	0.3712
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0027	0.0543	0.0759
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0027	0.0543	0.0543
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0029	0.0626	0.1235
Echinococcus granulosus	inositol monophosphatase 1	0.004	0.1084	0.1515
Entamoeba histolytica	hypothetical protein	0.0077	0.2655	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0295	0.0295
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0085	0.2974	1
Schistosoma mansoni	hypothetical protein	0.0021	0.0295	0.0413
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0027	0.0543	0.0759
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0252	1	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0128	0.4794	0.6702
Brugia malayi	Steroid receptor seven-up type 2	0.0027	0.0543	0.0543
Echinococcus multilocularis	inositol monophosphatase 1	0.004	0.1084	0.1515
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0027	0.0543	0.0543
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.0543	0.0759
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.0543	0.0543
Loa Loa (eye worm)	inositol-1	0.004	0.1084	0.1084
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0021	0.0295	0.0413
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.0543	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0543	0.0543
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0027	0.0543	0.0543
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0085	0.2974	0.4157
Brugia malayi	Doublecortin family protein	0.0021	0.0295	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0543	0.0543
Schistosoma mansoni	thyroid hormone receptor	0.0027	0.0543	0.0759
Loa Loa (eye worm)	steroid hormone receptor	0.0027	0.0543	0.0543
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0085	0.2974	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0085	0.2974	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0128	0.4794	0.6702
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0295	0.0295
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0027	0.0543	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0543	0.0543
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.1084	0.5
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0029	0.0626	0.1235
Echinococcus granulosus	ecdysone induced protein 78C	0.0027	0.0543	0.0759
Echinococcus granulosus	FTZ F1 alpha	0.0027	0.0543	0.0759
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0085	0.2974	0.5
Schistosoma mansoni	hypothetical protein	0.0184	0.7153	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0085	0.2974	0.5
Brugia malayi	Probable ClpP-like protease	0.0085	0.2974	0.2974
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0085	0.2974	1
Schistosoma mansoni	coup transcription factor	0.0027	0.0543	0.0759
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.0543	0.0543
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.0543	0.0543
Brugia malayi	photoreceptor-specific nuclear receptor	0.0027	0.0543	0.0543
Echinococcus granulosus	peptidase Clp S14 family	0.0056	0.174	0.2432
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0085	0.2974	1
Schistosoma mansoni	inositol monophosphatase	0.004	0.1084	0.1515
Onchocerca volvulus		0.0027	0.0543	1
Brugia malayi	RhoGAP domain containing protein	0.0069	0.2299	0.2299

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 625194