TDR Targets

Basic information

Technical information

TDR Targets ID: 709348
Name: 1-(4-bromophenyl)-2-[[5-[(4-methoxyphenyl)met hyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfany l]ethanone
MW: 458.371 | Formula: C21H20BrN3O2S
H donors: 0 H acceptors: 3 LogP: 5.05 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: C=CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1Cc1ccc(cc1)OC
InChi: 1S/C21H20BrN3O2S/c1-3-12-25-20(13-15-4-10-18(27-2)11-5-15)23-24-21(25)28-14-19(26)16-6-8-17(22)9-7-16/h3-11H,1,12-14H2,2H3
InChiKey: BXIGBFLXKUNDOI-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

2-[[4-allyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone
2-[[4-allyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone
2-[[4-allyl-5-(4-methoxybenzyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone
STK137764
ZINC02858324

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
Brugia malayi	Inositol-1	0.0037	0.2795	0.1913
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.2795	0.6654
Trichomonas vaginalis	DNA polymerase eta, putative	0.0039	0.3372	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.4935	0.474
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1818	0.1717
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.2795	0.1372
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.1855	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.3372	0.2063
Echinococcus granulosus	lamin	0.0056	0.7391	0.729
Brugia malayi	Intermediate filament tail domain containing protein	0.0056	0.7391	0.7071
Echinococcus multilocularis	lamin dm0	0.0056	0.7391	0.7391
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.2795	0.6654
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.1649	0.1546
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0039	0.3372	0.329
Echinococcus multilocularis	musashi	0.0056	0.7391	0.7391
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0039	0.3372	0.2063
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0032	0.1649	0.0627
Echinococcus multilocularis	pyruvate kinase	0.0032	0.1649	0.1649
Brugia malayi	ImpB/MucB/SamB family protein	0.0039	0.3372	0.256
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.2795	0.1372
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0039	0.3372	0.3117
Leishmania major	DNA polymerase kappa, putative	0.0039	0.3372	0.2063
Schistosoma mansoni	inositol monophosphatase	0.0037	0.2795	0.1372
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.4935	0.4873
Schistosoma mansoni	inositol monophosphatase	0.0037	0.2795	0.1372
Schistosoma mansoni	lamin	0.0056	0.7391	0.6875
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.3372	0.309
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.3372	0.309
Trypanosoma brucei	pyruvate kinase 1, putative	0.0032	0.1649	0.1294
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.4935	0.3935
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0039	0.3372	0.2063
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.3372	0.309
Trypanosoma brucei	DNA polymerase eta, putative	0.0067	1	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.2795	0.6654
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.3372	0.309
Trypanosoma cruzi	DNA polymerase eta, putative	0.0067	1	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.2795	0.6654
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.3372	0.2063
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0027	0.037	0.037
Mycobacterium ulcerans	DNA polymerase IV	0.0039	0.3372	1
Echinococcus granulosus	dna polymerase eta	0.0067	1	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0039	0.3372	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.7142	0.7107
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.4935	0.4315
Mycobacterium ulcerans	DNA polymerase IV	0.0039	0.3372	1
Leishmania major	DNA polymerase eta, putative	0.004	0.3414	0.2113
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.3372	0.309
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.2795	0.2519
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.3372	0.309
Schistosoma mansoni	intermediate filament proteins	0.0056	0.7391	0.6875
Trypanosoma cruzi	DNA polymerase eta, putative	0.004	0.3414	0.2113
Schistosoma mansoni	DNA polymerase eta	0.0067	1	1
Echinococcus multilocularis	dna polymerase kappa	0.0039	0.3372	0.3372
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.3372	0.309
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1649	0.1546
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0039	0.3372	0.3372
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.3372	0.309
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0039	0.3372	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.3372	0.309
Trypanosoma brucei	unspecified product	0.0039	0.3372	0.309
Loa Loa (eye worm)	intermediate filament protein	0.0056	0.7391	0.7359
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.3372	0.309
Echinococcus granulosus	intermediate filament protein	0.0056	0.7391	0.729
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.3372	0.309
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.2795	0.2795
Onchocerca volvulus		0.0056	0.7391	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0056	0.7391	0.7359
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.4935	0.474
Chlamydia trachomatis	pyruvate kinase	0.0032	0.1649	0.5
Trypanosoma brucei	pyruvate kinase 1	0.0032	0.1649	0.1294
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.2795	0.6495
Loa Loa (eye worm)	hypothetical protein	0.0027	0.037	0.0251
Loa Loa (eye worm)	hypothetical protein	0.0067	1	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.2795	0.1372
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.1649	0.1546
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0039	0.3372	1
Onchocerca volvulus		0.0056	0.7391	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.7391	0.7359
Schistosoma mansoni	hypothetical protein	0.0033	0.1818	0.0202
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0039	0.3372	0.2063
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.4935	0.3935
Leishmania major	DNA polymerase eta, putative	0.0067	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.3372	0.2063
Echinococcus granulosus	pyruvate kinase	0.0032	0.1649	0.1328
Plasmodium vivax	pyruvate kinase, putative	0.0032	0.1649	0.5
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.003	0.1091	0.0981
Echinococcus multilocularis	dna polymerase eta	0.0067	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.4935	0.4935
Brugia malayi	intermediate filament protein	0.0056	0.7391	0.7071
Echinococcus granulosus	dna polymerase kappa	0.0039	0.3372	0.3117
Echinococcus granulosus	pyruvate kinase	0.0032	0.1649	0.1328
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.3372	0.309
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.2795	0.2489
Giardia lamblia	DINP protein human, muc B family	0.0039	0.3372	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.4935	0.3935
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.5519	0.4971
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.5519	0.4971
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.3372	0.309
Echinococcus granulosus	lamin dm0	0.0056	0.7391	0.729
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0039	0.3372	1
Echinococcus multilocularis	lamin	0.0056	0.7391	0.7391
Loa Loa (eye worm)	hypothetical protein	0.0048	0.5519	0.5464
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.5519	0.5464
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0032	0.1649	0.0627
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.004	0.3414	1
Plasmodium falciparum	pyruvate kinase	0.0032	0.1649	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.1818	0.0817
Echinococcus multilocularis	pyruvate kinase	0.0032	0.1649	0.1649
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.4935	0.4935
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.1649	0.1546
Schistosoma mansoni	lamin	0.0056	0.7391	0.6875
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.2795	0.5
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.1855	0.1194
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.3372	0.2063
Loa Loa (eye worm)	inositol-1	0.0037	0.2795	0.2707

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 709348