TDR Targets

Basic information

Technical information

TDR Targets ID: 692845
Name: N-(2,5-dimethoxyphenyl)-2-[[5-(4-methoxypheny l)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl] acetamide
MW: 465.525 | Formula: C23H23N5O4S
H donors: 1 H acceptors: 3 LogP: 3.58 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1nnc(n1n1cccc1)SCC(=O)Nc1cc(OC)ccc1OC
InChi: 1S/C23H23N5O4S/c1-30-17-8-6-16(7-9-17)22-25-26-23(28(22)27-12-4-5-13-27)33-15-21(29)24-19-14-18(31-2)10-11-20(19)32-3/h4-14H,15H2,1-3H3,(H,24,29)
InChiKey: UDAJMHNYTQCKKA-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-(2,5-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide
N-(2,5-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetamide
N-(2,5-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

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
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1305	0.2212
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0872	0.1478
Trichomonas vaginalis	spcc417.12 protein, putative	0.0022	0.0162	0.1844
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0047	0.1305	0.2608
Onchocerca volvulus		0.0026	0.0367	0.0418
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0872	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0872	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0872	0.1478
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0872	1
Echinococcus granulosus	inositol monophosphatase 1	0.0038	0.0881	0.176
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0367	0.0622
Brugia malayi	hypothetical protein	0.013	0.5061	0.8578
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0162	0.0275
Onchocerca volvulus		0.0037	0.0872	0.1448
Echinococcus multilocularis	acetylcholinesterase	0.0129	0.5004	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0022	0.0162	0.0325
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0367	0.0622
Loa Loa (eye worm)	carboxylesterase	0.0022	0.0162	0.0275
Toxoplasma gondii	ABC1 family protein	0.0037	0.0872	0.1723
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0162	0.0275
Schistosoma mansoni	lamin	0.0026	0.0367	0.0733
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0872	0.1742
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0872	0.0872
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0872	0.99
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0034	0.0702	0.0702
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0038	0.0881	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0047	0.1305	0.2608
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0872	0.0872
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0881	0.174
Onchocerca volvulus		0.0037	0.0872	0.1448
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0872	0.1723
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0872	0.1934
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0022	0.0162	0.0325
Trichomonas vaginalis	inositol monophosphatase, putative	0.0038	0.0881	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0022	0.0162	0.0325
Schistosoma mansoni	hypothetical protein	0.0047	0.1305	0.2608
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0118	0.4509	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0102	0.3773	0.6395
Loa Loa (eye worm)	acetylcholinesterase 1	0.0129	0.5004	0.8481
Echinococcus granulosus	acetylcholinesterase	0.0129	0.5004	1
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0367	0.0622
Schistosoma mansoni	acetylcholinesterase	0.0022	0.0162	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0345	0.0585
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0367	0.0733
Echinococcus multilocularis	inositol monophosphatase 1	0.0038	0.0881	0.176
Loa Loa (eye worm)	hypothetical protein	0.013	0.5061	0.8578
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0162	0.0275
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0872	0.0872
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0872	0.1742
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0872	0.0872
Schistosoma mansoni	hypothetical protein	0.0047	0.1305	0.2608
Trichomonas vaginalis	esterase, putative	0.0037	0.0872	0.99
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0872	0.99
Loa Loa (eye worm)	hypothetical protein	0.0129	0.5004	0.8481
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0149	0.59	1
Loa Loa (eye worm)	hypothetical protein	0.0102	0.3773	0.6395
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0047	0.1305	0.2608
Trypanosoma cruzi	glutathione-S-transferase/glutaredoxin, putative	0.013	0.5061	1
Brugia malayi	beta-lactamase	0.0037	0.0872	0.1478
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0038	0.0881	0.1953
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0872	0.1478
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0367	0.0622
Brugia malayi	Latrophilin receptor protein 2	0.0047	0.1305	0.2212
Schistosoma mansoni	hypothetical protein	0.0047	0.1305	0.2608
Brugia malayi	Carboxylesterase family protein	0.0022	0.0162	0.0275
Toxoplasma gondii	aldehyde dehydrogenase	0.0118	0.4509	0.8909
Echinococcus multilocularis	carboxylesterase 5A	0.0129	0.5004	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0881	0.174
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0881	0.176
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0872	0.1478
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0118	0.4509	0.9011
Brugia malayi	Carboxylesterase family protein	0.0129	0.5004	0.8481
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0118	0.4509	0.4509
Trypanosoma brucei	Prostaglandin E synthase	0.013	0.5061	1
Echinococcus granulosus	intermediate filament protein	0.0026	0.0367	0.0733
Leishmania major	glutathione-S-transferase/glutaredoxin, putative	0.013	0.5061	1
Echinococcus multilocularis	GPCR, family 2	0.0047	0.1305	0.2608
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0118	0.4509	1
Loa Loa (eye worm)	carboxylesterase	0.0129	0.5004	0.8481
Brugia malayi	Carboxylesterase family protein	0.0129	0.5004	0.8481
Echinococcus granulosus	lamin dm0	0.0026	0.0367	0.0733
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0149	0.59	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0	0.5
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0	0.5
Echinococcus granulosus	lamin	0.0026	0.0367	0.0733
Loa Loa (eye worm)	carboxylesterase	0.0022	0.0162	0.0275
Brugia malayi	Carboxylesterase family protein	0.0022	0.0162	0.0275
Toxoplasma gondii	prostaglandin-E synthase	0.013	0.5061	1
Brugia malayi	beta-lactamase family protein	0.0037	0.0872	0.1478
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0872	0.99
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0872	0.1934
Brugia malayi	Carboxylesterase family protein	0.0022	0.0162	0.0275
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0022	0.0162	0.0325
Trypanosoma cruzi	glutathione-S-transferase/glutaredoxin, putative	0.013	0.5061	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0872	0.1723
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0149	0.59	1
Echinococcus multilocularis	lamin dm0	0.0026	0.0367	0.0733
Onchocerca volvulus		0.013	0.5061	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0038	0.0881	0.174
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0872	0.0872
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0881	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0047	0.1305	0.2608
Schistosoma mansoni	BC026374 protein (S09 family)	0.0022	0.0162	0.0325
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0872	0.99
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0872	0.1478
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0872	0.0872
Leishmania major	hypothetical protein, conserved	0.0037	0.0872	0.1723
Echinococcus multilocularis	acetylcholinesterase	0.0129	0.5004	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0022	0.0162	0.1844
Loa Loa (eye worm)	inositol-1	0.0038	0.0881	0.1493
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0047	0.1305	0.2212
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0872	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0881	0.174
Echinococcus granulosus	carboxylesterase 5A	0.0129	0.5004	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0118	0.4509	0.9011
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0872	0.1723
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0872	0.1934
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0118	0.4509	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0118	0.4509	0.9011
Echinococcus granulosus	para nitrobenzyl esterase	0.0022	0.0162	0.0325
Echinococcus granulosus	GPCR family 2	0.0047	0.1305	0.2608
Echinococcus granulosus	acetylcholinesterase	0.0129	0.5004	1
Onchocerca volvulus		0.0026	0.0367	0.0418
Onchocerca volvulus		0.0037	0.0872	0.1448
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0872	0.1742
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0872	0.1478
Brugia malayi	Inositol-1	0.0038	0.0881	0.1493
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0872	0.1478
Echinococcus multilocularis	neuroligin	0.0022	0.0162	0.0325
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0047	0.1305	0.2212
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0022	0.0162	0.0162
Brugia malayi	beta-lactamase family protein	0.0037	0.0872	0.1478
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0872	0.99
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0881	0.176
Schistosoma mansoni	hypothetical protein	0.0047	0.1305	0.2608
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0129	0.5004	1
Loa Loa (eye worm)	hypothetical protein	0.0149	0.59	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0872	0.1478
Echinococcus multilocularis	musashi	0.0026	0.0367	0.0733
Schistosoma mansoni	hypothetical protein	0.0102	0.3773	0.7541
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0038	0.0881	1
Echinococcus granulosus	BC026374 protein S09 family	0.0022	0.0162	0.0325
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0881	0.174
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0022	0.0162	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0162	0.0275
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0872	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0162	0.0275
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0872	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0162	0.0275
Schistosoma mansoni	lamin	0.0026	0.0367	0.0733
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0872	0.1742
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0118	0.4509	0.8909
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0022	0.0162	0.0325
Brugia malayi	Carboxylesterase family protein	0.0022	0.0162	0.0275
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0022	0.0162	0.0325
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0872	0.1934
Echinococcus granulosus	neuroligin	0.0022	0.0162	0.0325
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0872	0.0872
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0022	0.0162	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0872	0.1478
Mycobacterium ulcerans	carboxylesterase, LipT	0.0022	0.0162	0.036
Schistosoma mansoni	aldehyde dehydrogenase	0.0118	0.4509	0.9011
Loa Loa (eye worm)	hypothetical protein	0.0129	0.5004	0.8481
Mycobacterium ulcerans	lipase LipD	0.0037	0.0872	0.1934
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0881	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0162	0.0275
Echinococcus multilocularis	lamin	0.0026	0.0367	0.0733
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0022	0.0162	0.0325
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0022	0.0162	0.0325
Brugia malayi	hypothetical protein	0.0022	0.0162	0.0275
Brugia malayi	intermediate filament protein	0.0026	0.0367	0.0622
Schistosoma mansoni	gliotactin	0.0022	0.0162	0.0325

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 692845