Detailed information for compound 690255

Basic information

Technical information
  • TDR Targets ID: 690255
  • Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4- oxopyran-3-yl] 4-chlorobenzoate
  • MW: 376.814 | Formula: C17H13ClN2O4S
  • H donors: 0 H acceptors: 3 LogP: 2.81 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)Oc1coc(cc1=O)CSc1nccn1C
  • InChi: 1S/C17H13ClN2O4S/c1-20-7-6-19-17(20)25-10-13-8-14(21)15(9-23-13)24-16(22)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3
  • InChiKey: BPASTLZLTPJTEC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 4-chlorobenzoate
  • 4-chlorobenzoic acid [6-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxo-3-pyranyl] ester
  • 4-chlorobenzoic 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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0042 0.1318 0.1318
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1033 0.5091
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.1033 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0073 0.2802 0.2802
Echinococcus multilocularis acetylcholinesterase 0.0222 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.152 0.1502
Onchocerca volvulus 0.0032 0.082 0.5243
Echinococcus multilocularis ethanolamine kinase 2 0.0019 0.0183 0.0162
Echinococcus multilocularis BC026374 protein (S09 family) 0.0037 0.1081 0.1062
Brugia malayi intermediate filament protein 0.0028 0.0635 0.0635
Loa Loa (eye worm) doublecortin family protein 0.0042 0.1318 0.1318
Trichomonas vaginalis chromobox protein, putative 0.0073 0.2802 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.217 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0021 0.0021
Schistosoma mansoni choline/ethanolamine kinase 0.0019 0.0183 0.0162
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0222 1 1
Schistosoma mansoni chromobox protein 0.0073 0.2802 0.2787
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.1852 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0037 0.1081 0.1062
Brugia malayi Choline/ethanolamine kinase family protein 0.0195 0.8719 0.8719
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.1318 0.1299
Loa Loa (eye worm) hypothetical protein 0.0037 0.1081 0.1081
Echinococcus multilocularis Polycystic kidney disease protein 0.0042 0.1318 0.1299
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.1248 0.4069
Schistosoma mansoni inositol monophosphatase 0.0036 0.1033 0.1014
Mycobacterium tuberculosis Carboxylesterase LipT 0.0037 0.1081 0.1763
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1852 0.6374
Plasmodium falciparum LCCL domain-containing protein 0.0042 0.1318 0.133
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.1852 0.8403
Echinococcus granulosus acetylcholinesterase 0.0222 1 1
Schistosoma mansoni chromobox protein 0.0073 0.2802 0.2787
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.217 0.2153
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0037 0.1081 0.3428
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.1852 1
Echinococcus multilocularis neuroligin 0.0037 0.1081 0.1062
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1033 0.5091
Brugia malayi hypothetical protein 0.0042 0.1318 0.1318
Brugia malayi hypothetical protein 0.0042 0.1318 0.1318
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0635 0.0635
Echinococcus granulosus ethanolamine kinase 2 0.0019 0.0183 0.0162
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0119 0.5009 0.4999
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.1852 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.1033 0.0996
Loa Loa (eye worm) inositol-1 0.0036 0.1033 0.1033
Schistosoma mansoni gliotactin 0.0037 0.1081 0.1062
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0037 0.1081 0.1763
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.1852 0.8403
Echinococcus granulosus carboxylesterase 5A 0.0222 1 1
Brugia malayi Heterochromatin protein 1 0.0073 0.2802 0.2802
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.152 0.1502
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.1852 0.1956
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.152 0.1502
Onchocerca volvulus 0.0042 0.1318 0.9333
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.165 0.165
Echinococcus granulosus chromobox protein 1 0.0073 0.2802 0.2787
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.165 0.165
Loa Loa (eye worm) hypothetical protein 0.0037 0.1081 0.1081
Loa Loa (eye worm) hypothetical protein 0.0028 0.061 0.061
Loa Loa (eye worm) choline/ethanolamine kinase 0.0019 0.0183 0.0183
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.1852 0.1835
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0037 0.1081 0.1763
Echinococcus granulosus geminin 0.0174 0.7715 0.771
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.152 0.1502
Echinococcus multilocularis acetylcholinesterase 0.0222 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.217 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.152 0.152
Loa Loa (eye worm) carboxylesterase 0.0222 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.1399 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1081 0.1081
Schistosoma mansoni rab6-interacting 0.0042 0.1318 0.1299
Schistosoma mansoni lamin 0.0028 0.0635 0.0615
Loa Loa (eye worm) carboxylesterase 0.0037 0.1081 0.1081
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1852 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0037 0.1081 0.1062
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.067 0.186
Trichomonas vaginalis chromobox protein, putative 0.0044 0.1399 0.4644
Schistosoma mansoni hypothetical protein 0.0034 0.0896 0.0877
Loa Loa (eye worm) choline/ethanolamine kinase 0.0195 0.8719 0.8719
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0896 0.0896
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1033 0.4278
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.1248 0.8763
Onchocerca volvulus 0.0028 0.0635 0.3721
Plasmodium vivax choline kinase, putative 0.0195 0.8719 1
Echinococcus granulosus lamin dm0 0.0028 0.0635 0.0615
Schistosoma mansoni rab6-interacting 0.0042 0.1318 0.1299
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.1852 0.1835
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.1852 0.1835
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0635 0.0635
Echinococcus granulosus choline:ethanolamine kinase 0.0195 0.8719 0.8716
Mycobacterium ulcerans carboxylesterase, LipT 0.0037 0.1081 0.0422
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.217 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.1318 0.1299
Brugia malayi Carboxylesterase family protein 0.0037 0.1081 0.1081
Brugia malayi Carboxylesterase family protein 0.0037 0.1081 0.1081
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.1248 0.4069
Schistosoma mansoni loxhd1 0.0042 0.1318 0.1299
Onchocerca volvulus 0.0037 0.1081 0.7383
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.152 0.1502
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.1033 0.3245
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.1033 1
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.1852 1
Schistosoma mansoni choline kinase 0.0019 0.0183 0.0162
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.1033 0.1014
Schistosoma mansoni hypothetical protein 0.0042 0.1318 0.1299
Echinococcus granulosus intermediate filament protein 0.0028 0.0635 0.0615
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.152 0.152
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0848 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.1033 0.3245
Echinococcus multilocularis choline:ethanolamine kinase 0.0195 0.8719 0.8716
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1033 0.5091
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0041 0.1248 0.1248
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.067 0.186
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.5324 0.5324
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.165 0.165
Loa Loa (eye worm) hypothetical protein 0.0049 0.165 0.165
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.217 0.2153
Echinococcus granulosus neuroligin 0.0037 0.1081 0.1062
Schistosoma mansoni lipoxygenase 0.0119 0.5009 0.4999
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1852 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1081 0.1081
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0037 0.1081 0.1062
Schistosoma mansoni hypothetical protein 0.0174 0.7715 0.771
Brugia malayi Inositol-1 0.0036 0.1033 0.1033
Brugia malayi MAP kinase sur-1 0.0053 0.1852 0.1852
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0021 0.0021
Echinococcus multilocularis musashi 0.0028 0.0635 0.0615
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1852 0.6374
Echinococcus granulosus para nitrobenzyl esterase 0.0037 0.1081 0.1062
Plasmodium vivax multidomain scavenger receptor, putative 0.0042 0.1318 0.133
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1852 0.1835
Brugia malayi Doublecortin family protein 0.0042 0.1318 0.1318
Loa Loa (eye worm) hypothetical protein 0.0037 0.1081 0.1081
Trichomonas vaginalis chromobox protein, putative 0.0044 0.1399 0.4644
Trypanosoma brucei protein kinase, putative 0.0053 0.1852 1
Toxoplasma gondii phosphotransferase enzyme family protein 0.0195 0.8719 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0222 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.082 0.082
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.1318 0.1299
Loa Loa (eye worm) hypothetical protein 0.0019 0.0183 0.0183
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.217 0.2328
Echinococcus granulosus chromobox protein 1 0.0073 0.2802 0.2787
Trichomonas vaginalis spcc417.12 protein, putative 0.0037 0.1081 0.3428
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.1033 0.1014
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.152 0.1502
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.217 0.2153
Loa Loa (eye worm) carboxylesterase 0.0037 0.1081 0.1081
Schistosoma mansoni lamin 0.0028 0.0635 0.0615
Loa Loa (eye worm) hypothetical protein 0.0037 0.1081 0.1081
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1852 0.6374
Brugia malayi Choline/ethanolamine kinase family protein 0.0019 0.0183 0.0183
Echinococcus granulosus lamin 0.0028 0.0635 0.0615
Echinococcus multilocularis lamin dm0 0.0028 0.0635 0.0615
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.1033 0.3245
Loa Loa (eye worm) hypothetical protein 0.0016 0.0021 0.0021
Echinococcus multilocularis chromobox protein 1 0.0073 0.2802 0.2787
Echinococcus multilocularis geminin 0.0174 0.7715 0.771
Schistosoma mansoni acetylcholinesterase 0.0037 0.1081 0.1062
Schistosoma mansoni lipoxygenase 0.0042 0.1318 0.1299
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.1318 0.1299
Brugia malayi Carboxylesterase family protein 0.0037 0.1081 0.1081
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0037 0.1081 0.1062
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.152 0.1502
Onchocerca volvulus 0.0037 0.1081 0.7383
Onchocerca volvulus 0.0037 0.1081 0.7383
Brugia malayi hypothetical protein 0.0037 0.1081 0.1081
Echinococcus multilocularis lamin 0.0028 0.0635 0.0615
Schistosoma mansoni intermediate filament proteins 0.0028 0.0635 0.0615
Echinococcus granulosus acetylcholinesterase 0.0222 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.217 1
Brugia malayi Carboxylesterase family protein 0.0222 1 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.1033 0.1014
Echinococcus multilocularis carboxylesterase 5A 0.0222 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.217 1
Loa Loa (eye worm) hypothetical protein 0.0222 1 1
Echinococcus granulosus RUN 0.0042 0.1318 0.1299
Brugia malayi MH2 domain containing protein 0.0125 0.5324 0.5324
Onchocerca volvulus 0.0037 0.1081 0.7383
Trichomonas vaginalis chromobox protein, putative 0.0073 0.2802 1
Brugia malayi chromobox protein homolog 3 0.0041 0.1248 0.1248
Echinococcus granulosus BC026374 protein S09 family 0.0037 0.1081 0.1062
Loa Loa (eye worm) choline Kinase A 0.0019 0.0183 0.0183
Schistosoma mansoni neuroligin 3 (S09 family) 0.0037 0.1081 0.1062
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.1852 0.1835
Onchocerca volvulus 0.0037 0.1081 0.7383
Brugia malayi Carboxylesterase family protein 0.0037 0.1081 0.1081
Echinococcus multilocularis RUN 0.0042 0.1318 0.1299
Plasmodium falciparum choline kinase 0.0195 0.8719 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1852 0.6374
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0037 0.1081 0.1062
Brugia malayi Choline/ethanolamine kinase family protein 0.0019 0.0183 0.0183
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.5324 0.5324
Onchocerca volvulus 0.0042 0.1318 0.9333
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0635 0.0635
Loa Loa (eye worm) hypothetical protein 0.0034 0.0896 0.0896
Loa Loa (eye worm) hypothetical protein 0.0037 0.1081 0.1081
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.1852 0.1852
Schistosoma mansoni choline/ethanolamine kinase 0.0019 0.0183 0.0162
Loa Loa (eye worm) hypothetical protein 0.0028 0.0635 0.0635
Schistosoma mansoni polycystin 1-related 0.0042 0.1318 0.1299
Schistosoma mansoni hypothetical protein 0.0174 0.7715 0.771
Echinococcus granulosus Polycystic kidney disease protein 0.0042 0.1318 0.1299
Onchocerca volvulus 0.0028 0.0635 0.3721
Loa Loa (eye worm) hypothetical protein 0.0222 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.217 0.2153
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0037 0.1081 0.1062
Loa Loa (eye worm) hypothetical protein 0.0042 0.1318 0.1318
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0119 0.5009 0.4999
Echinococcus multilocularis chromobox protein 1 0.0073 0.2802 0.2787
Echinococcus multilocularis para nitrobenzyl esterase 0.0037 0.1081 0.1062

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

Bibliographic References

No literature references available for this target.

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