TDR Targets

Basic information

Technical information

TDR Targets ID: 690217
Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4- oxopyran-3-yl] 5-chloro-2-methoxybenzoate
MW: 406.84 | Formula: C18H15ClN2O5S
H donors: 0 H acceptors: 3 LogP: 2.79 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1C(=O)Oc1coc(cc1=O)CSc1nccn1C)Cl
InChi: 1S/C18H15ClN2O5S/c1-21-6-5-20-18(21)27-10-12-8-14(22)16(9-25-12)26-17(23)13-7-11(19)3-4-15(13)24-2/h3-9H,10H2,1-2H3
InChiKey: JQPBTLJHHJZKCQ-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

[6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 5-chloro-2-methoxy-benzoate
5-chloro-2-methoxybenzoic acid [6-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxo-3-pyranyl] ester
5-chloro-2-methoxy-benzoic acid [4-keto-6-[[(1-methylimidazol-2-yl)thio]methyl]pyran-3-yl] ester

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
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0089	0.0089
Echinococcus multilocularis	chromobox protein 1	0.0077	0.3837	0.3837
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.1392	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0945	0.1312
Schistosoma mansoni	lipoxygenase	0.0043	0.1759	0.1685
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.2855	0.2791
Schistosoma mansoni	lipoxygenase	0.0121	0.6513	0.6481
Onchocerca volvulus		0.0043	0.1759	0.7987
Echinococcus multilocularis	Polycystic kidney disease protein	0.0043	0.1759	0.1759
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.202	0.2713
Brugia malayi	MAP kinase sur-1	0.0056	0.257	0.3486
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.2855	0.2855
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.2855	1
Echinococcus granulosus	intermediate filament protein	0.003	0.0945	0.0945
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0056	0.257	0.8049
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.2186	0.2947
Brugia malayi	cytoplasmic intermediate filament protein	0.0016	0.0097	0.0011
Schistosoma mansoni	inositol monophosphatase	0.0037	0.1392	0.1314
Schistosoma mansoni	chromobox protein	0.0077	0.3837	0.3782
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.202	0.2804
Echinococcus multilocularis	mitogen activated protein kinase	0.0056	0.257	0.257
Brugia malayi	chromobox protein homolog 3	0.0043	0.1764	0.2353
Echinococcus granulosus	RUN	0.0043	0.1759	0.1759
Trichomonas vaginalis	chromobox protein, putative	0.0077	0.3837	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0121	0.6513	0.6513
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.2855	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.202	0.1948
Schistosoma mansoni	serine/threonine protein kinase	0.0056	0.257	0.2503
Brugia malayi	hypothetical protein	0.0043	0.1759	0.2347
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.202	0.202
Schistosoma mansoni	hypothetical protein	0.0178	1	1
Giardia lamblia	Kinase, CMGC MAPK	0.0056	0.257	0.5
Plasmodium falciparum	LCCL domain-containing protein	0.0043	0.1759	0.5
Onchocerca volvulus		0.0043	0.1759	0.7987
Echinococcus multilocularis	musashi	0.003	0.0945	0.0945
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0056	0.257	1
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.1965	0.3419
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.2186	0.2947
Schistosoma mansoni	loxhd1	0.0043	0.1759	0.1685
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.1392	0.1406
Brugia malayi	Inositol-1	0.0037	0.1392	0.183
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1759	0.2442
Loa Loa (eye worm)	inositol-1	0.0037	0.1392	0.1931
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0945	0.1312
Schistosoma mansoni	rab6-interacting	0.0043	0.1759	0.1685
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.202	0.1948
Schistosoma mansoni	intermediate filament proteins	0.003	0.0945	0.0864
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0056	0.257	0.8049
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.257	0.5546
Echinococcus granulosus	lamin dm0	0.003	0.0945	0.0945
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0121	0.6513	0.6513
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.1764	0.2714
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.202	0.202
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0056	0.257	0.257
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.1392	0.1392
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0043	0.1759	0.1759
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0056	0.257	1
Loa Loa (eye worm)	doublecortin family protein	0.0043	0.1759	0.2442
Schistosoma mansoni	rab6-interacting	0.0043	0.1759	0.1685
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.1392	0.1406
Brugia malayi	hypothetical protein	0.0043	0.1759	0.2347
Loa Loa (eye worm)	MH2 domain-containing protein	0.0132	0.7205	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0056	0.257	1
Echinococcus multilocularis	chromobox protein 1	0.0077	0.3837	0.3837
Loa Loa (eye worm)	heterochromatin protein 1	0.0077	0.3837	0.5326
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0056	0.257	0.8049
Echinococcus multilocularis	geminin	0.0178	1	1
Echinococcus granulosus	GPCR family 2	0.0016	0.0089	0.0089
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.1764	0.2714
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0043	0.1759	0.1759
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.1965	0.3419
Echinococcus granulosus	lipoxygenase domain containing protein	0.0043	0.1759	0.1759
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.1392	0.5
Brugia malayi	Doublecortin family protein	0.0043	0.1759	0.2347
Schistosoma mansoni	hypothetical protein	0.0034	0.1216	0.1137
Echinococcus granulosus	mitogen activated protein kinase 3	0.0056	0.257	0.257
Schistosoma mansoni	lamin	0.003	0.0945	0.0864
Trypanosoma brucei	protein kinase, putative	0.0056	0.257	1
Brugia malayi	Heterochromatin protein 1	0.0077	0.3837	0.5268
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0056	0.257	0.3567
Brugia malayi	MH2 domain containing protein	0.0132	0.7205	1
Echinococcus granulosus	chromobox protein 1	0.0077	0.3837	0.3837
Echinococcus granulosus	lamin	0.003	0.0945	0.0945
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0097	0.0135
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0089	0.0089
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.2855	0.2791
Echinococcus granulosus	Polycystic kidney disease protein	0.0043	0.1759	0.1759
Echinococcus granulosus	lipoxygenase domain containing protein	0.0043	0.1759	0.1759
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.202	0.1948
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.202	0.202
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0912	0.1265
Schistosoma mansoni	hypothetical protein	0.0043	0.1759	0.1685
Onchocerca volvulus		0.0034	0.1192	0.2424
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.1392	0.1406
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.257	0.5546
Trichomonas vaginalis	chromobox protein, putative	0.0077	0.3837	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.2855	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1759	0.2442
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.1392	0.1392
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.2855	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.2855	0.2855
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.2186	0.3035
Loa Loa (eye worm)	hypothetical protein	0.005	0.2186	0.3035
Loa Loa (eye worm)	transcription factor SMAD2	0.0132	0.7205	1
Echinococcus multilocularis	RUN	0.0043	0.1759	0.1759
Schistosoma mansoni	polycystin 1-related	0.0043	0.1759	0.1685
Schistosoma mansoni	chromobox protein	0.0077	0.3837	0.3782
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.1153	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0089	0.0089
Schistosoma mansoni	lamin	0.003	0.0945	0.0864
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.257	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.1216	0.1583
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.257	0.5546
Echinococcus granulosus	chromobox protein 1	0.0077	0.3837	0.3837
Loa Loa (eye worm)	hypothetical protein	0.003	0.0945	0.1312
Echinococcus multilocularis	lamin	0.003	0.0945	0.0945
Schistosoma mansoni	hypothetical protein	0.0178	1	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.2855	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.257	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0089	0.0124
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.257	0.5546
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1216	0.1687
Echinococcus multilocularis	lamin dm0	0.003	0.0945	0.0945
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.0945	0.1203
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1192	0.1655
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.1764	0.803
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.1965	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.202	0.202
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0089	0.0124
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0089	0.0089
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0089	0.0089
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.2855	1
Schistosoma mansoni	inositol monophosphatase	0.0037	0.1392	0.1314
Plasmodium vivax	multidomain scavenger receptor, putative	0.0043	0.1759	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1764	0.2448
Echinococcus granulosus	mitogen activated protein kinase	0.0056	0.257	0.257
Brugia malayi	intermediate filament protein	0.003	0.0945	0.1203

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 690217