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

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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

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

Search by Saint Jude

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 709348