TDR Targets

Basic information

Technical information

TDR Targets ID: 625076
Name: N-[[4-(3,4-dichlorophenyl)-5-propylsulfanyl-1 ,2,4-triazol-3-yl]methyl]-3-fluorobenzamide
MW: 439.334 | Formula: C19H17Cl2FN4OS
H donors: 1 H acceptors: 3 LogP: 4.99 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCSc1nnc(n1c1ccc(c(c1)Cl)Cl)CNC(=O)c1cccc(c1)F
InChi: 1S/C19H17Cl2FN4OS/c1-2-8-28-19-25-24-17(26(19)14-6-7-15(20)16(21)10-14)11-23-18(27)12-4-3-5-13(22)9-12/h3-7,9-10H,2,8,11H2,1H3,(H,23,27)
InChiKey: QDUNLVZCSIUQMP-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-[[4-(3,4-dichlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide
N-[[4-(3,4-dichlorophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide
N-[[4-(3,4-dichlorophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide
Oprea1_356519

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	jumonji domain containing protein	0.0156	0.0737	0.0733
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0077	0.0174	0.0169
Brugia malayi	PHD-finger family protein	0.006	0.0051	0.0116
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.145	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0091	0.0272	0.0268
Echinococcus multilocularis	geminin	0.0363	0.2223	0.2219
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0941	0.6357	1
Schistosoma mansoni	hypothetical protein	0.011	0.0408	0.0403
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0077	0.0174	0.5
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0077	0.0174	0.0169
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.046	0.2913	1
Brugia malayi	jmjC domain containing protein	0.0072	0.0141	0.0322
Treponema pallidum	fructose-bisphosphate aldolase	0.0941	0.6357	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0077	0.0174	0.0169
Brugia malayi	hypothetical protein	0.0071	0.0133	0.0302
Loa Loa (eye worm)	hypothetical protein	0.0161	0.0771	0.0771
Echinococcus multilocularis	jumonji domain containing protein	0.0083	0.0219	0.0214
Echinococcus granulosus	peregrin	0.006	0.0051	0.0046
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0161	0.0771	0.1756
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0077	0.0174	0.0169
Echinococcus multilocularis	PHD finger protein rhinoceros	0.006	0.0051	0.0046
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0127	0.0535	0.053
Trichomonas vaginalis	glucosylceramidase, putative	0.0278	0.1611	0.2342
Trichomonas vaginalis	glucosylceramidase, putative	0.0278	0.1611	0.2342
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0077	0.0174	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0941	0.6357	1
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0077	0.0174	0.0024
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.0927	0.1239
Echinococcus multilocularis	jun protein	0.0091	0.0272	0.0268
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.0005	0.0005
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0941	0.6357	1
Schistosoma mansoni	jun-related protein	0.0074	0.0151	0.0146
Toxoplasma gondii	aminopeptidase n, putative	0.0077	0.0174	1
Schistosoma mansoni	hypothetical protein	0.0363	0.2223	0.2219
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0077	0.0174	0.5
Onchocerca volvulus		0.0077	0.0174	0.1404
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0077	0.0174	0.0174
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0941	0.6357	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0161	0.0771	0.1756
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0941	0.6357	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.0927	0.1239
Echinococcus granulosus	jumonji domain containing protein	0.0083	0.0219	0.0214
Trypanosoma brucei	Aminopeptidase M1, putative	0.0077	0.0174	0.5
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0077	0.0174	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.0927	0.1239
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0077	0.0174	1
Trypanosoma brucei	aminopeptidase, putative	0.0077	0.0174	0.5
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0077	0.0174	0.5
Onchocerca volvulus		0.0071	0.0133	0.0931
Schistosoma mansoni	lipoxygenase	0.0127	0.0535	0.053
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.0005	0.0011
Echinococcus multilocularis	peregrin	0.006	0.0051	0.0046
Echinococcus granulosus	aminopeptidase N	0.0077	0.0174	0.0169
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0278	0.1611	0.1611
Loa Loa (eye worm)	aminopeptidase N	0.0077	0.0174	0.0174
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0941	0.6357	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0174	0.0174
Schistosoma mansoni	lipoxygenase	0.0089	0.026	0.0256
Toxoplasma gondii	aminopeptidase N protein	0.0077	0.0174	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0077	0.0174	0.0169
Onchocerca volvulus		0.0077	0.0174	0.1404
Loa Loa (eye worm)	PHD-finger family protein	0.006	0.0051	0.0051
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0072	0.0141	0.0137
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0077	0.0174	0.0169
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0077	0.0174	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0357	0.0357
Loa Loa (eye worm)	jmjC domain-containing protein	0.0124	0.0507	0.0507
Trypanosoma brucei	Aminopeptidase M1, putative	0.0077	0.0174	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0077	0.0174	0.0169
Loa Loa (eye worm)	hypothetical protein	0.006	0.0051	0.0051
Trichomonas vaginalis	glucosylceramidase, putative	0.0192	0.0997	0.1352
Loa Loa (eye worm)	TATA binding protein associated factor	0.0077	0.0174	0.0174
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0077	0.0174	0.5
Loa Loa (eye worm)	jmjC domain-containing protein	0.0072	0.0141	0.0141
Echinococcus multilocularis	chromobox protein 1	0.0075	0.0159	0.0154
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.0927	0.1239
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0127	0.0535	0.053
Brugia malayi	latrophilin 2 splice variant baaae	0.011	0.0408	0.0929
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0941	0.6357	1
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0077	0.0174	0.5
Brugia malayi	Peptidase family M1 containing protein	0.0077	0.0174	0.0396
Echinococcus granulosus	lysine specific demethylase 5A	0.0072	0.0141	0.0137
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0941	0.6357	1
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.006	0.0051	0.0046
Trichomonas vaginalis	glucosylceramidase, putative	0.0278	0.1611	0.2342
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0941	0.6357	1
Toxoplasma gondii	aminopeptidase N, putative	0.0077	0.0174	1
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0077	0.0174	0.0024
Trichomonas vaginalis	glucosylceramidase, putative	0.0278	0.1611	0.2342
Schistosoma mansoni	hypothetical protein	0.0363	0.2223	0.2219
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0196	0.1026	0.1021
Brugia malayi	Bromodomain containing protein	0.006	0.0051	0.0116
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0077	0.0174	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0174	0.0174
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0077	0.0174	1
Echinococcus granulosus	chromobox protein 1	0.0075	0.0159	0.0154
Schistosoma mansoni	hypothetical protein	0.006	0.0051	0.0046
Schistosoma mansoni	chromobox protein	0.0075	0.0159	0.0154
Brugia malayi	Peptidase family M1 containing protein	0.0077	0.0174	0.0396
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0278	0.1611	0.3665
Echinococcus multilocularis	aminopeptidase N	0.0077	0.0174	0.0169
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0091	0.0272	0.0268
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0077	0.0174	0.0169
Brugia malayi	bZIP transcription factor family protein	0.0091	0.0272	0.0619
Schistosoma mansoni	chromobox protein	0.0075	0.0159	0.0154
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0077	0.0174	0.0169
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0077	0.0174	0.0169
Giardia lamblia	Fructose-bisphosphate aldolase	0.0941	0.6357	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0192	0.0997	0.1352
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.046	0.2913	1
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0077	0.0174	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.0927	0.1239
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0941	0.6357	1
Brugia malayi	jmjC domain containing protein	0.0196	0.1026	0.2335
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0077	0.0174	0.5
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.145	1	1
Echinococcus multilocularis	chromobox protein 1	0.0075	0.0159	0.0154
Trypanosoma cruzi	aminopeptidase, putative	0.0077	0.0174	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0077	0.0174	0.0169
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0077	0.0174	0.5
Loa Loa (eye worm)	hypothetical protein	0.011	0.0408	0.0408
Brugia malayi	hypothetical protein	0.0667	0.4394	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.0927	0.1239
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0196	0.1026	0.1021
Brugia malayi	hypothetical protein	0.0077	0.0174	0.0396
Trichomonas vaginalis	glucosylceramidase, putative	0.0278	0.1611	0.2342
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0077	0.0174	0.0169
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0077	0.0174	0.5
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0174	0.0174
Echinococcus granulosus	jun protein	0.0091	0.0272	0.0268
Trypanosoma cruzi	aminopeptidase, putative	0.0077	0.0174	0.5
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0254	0.0254
Schistosoma mansoni	hypothetical protein	0.0074	0.0151	0.0146
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0072	0.0141	0.0137
Loa Loa (eye worm)	heterochromatin protein 1	0.0075	0.0159	0.0159
Brugia malayi	hypothetical protein	0.0077	0.0174	0.0396
Echinococcus granulosus	PHD finger protein rhinoceros	0.006	0.0051	0.0046
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0077	0.0174	0.0169
Echinococcus granulosus	geminin	0.0363	0.2223	0.2219
Trichomonas vaginalis	glucosylceramidase, putative	0.0278	0.1611	0.2342
Brugia malayi	Heterochromatin protein 1	0.0075	0.0159	0.0362
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.0927	0.1239
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0077	0.0174	1
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0077	0.0174	0.0169
Onchocerca volvulus	Glucosylceramidase homolog	0.0182	0.0927	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.046	0.2913	0.5
Brugia malayi	Peptidase family M1 containing protein	0.0077	0.0174	0.0396
Brugia malayi	TATA binding protein associated factor	0.0077	0.0174	0.0396
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.145	1	1
Onchocerca volvulus		0.0077	0.0174	0.1404
Echinococcus multilocularis	lysine specific demethylase 5A	0.0072	0.0141	0.0137
Echinococcus granulosus	chromobox protein 1	0.0075	0.0159	0.0154
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0077	0.0174	0.0024
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0077	0.0174	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0161	0.0771	0.0771

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 625076