Detailed information for compound 1799349

Basic information

Technical information
  • TDR Targets ID: 1799349
  • Name: methyl (E)-2-[2-[[3-[(E)-3-(3,4-dichloropheny l)prop-2-enoyl]phenoxy]methyl]phenyl]-3-metho xyprop-2-enoate
  • MW: 497.367 | Formula: C27H22Cl2O5
  • H donors: 0 H acceptors: 2 LogP: 6.45 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/C=C(\c1ccccc1COc1cccc(c1)C(=O)/C=C/c1ccc(c(c1)Cl)Cl)/C(=O)OC
  • InChi: 1S/C27H22Cl2O5/c1-32-17-23(27(31)33-2)22-9-4-3-6-20(22)16-34-21-8-5-7-19(15-21)26(30)13-11-18-10-12-24(28)25(29)14-18/h3-15,17H,16H2,1-2H3/b13-11+,23-17+
  • InChiKey: ZSOBLIWLVJTXPL-DUXZTLNWSA-N  

Network

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Synonyms

  • methyl (E)-2-[2-[[3-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]phenoxy]methyl]phenyl]-3-methoxy-prop-2-enoate
  • (E)-2-[2-[[3-[(E)-3-(3,4-dichlorophenyl)-1-oxoprop-2-enyl]phenoxy]methyl]phenyl]-3-methoxyprop-2-enoic acid methyl ester
  • (E)-2-[2-[[3-[(E)-3-(3,4-dichlorophenyl)acryloyl]phenoxy]methyl]phenyl]-3-methoxy-acrylic acid methyl 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
Mycobacterium ulcerans lipoprotein LpqD 0.0029 0.0039 0.0067
Mycobacterium ulcerans phosphoglycerate mutase 0.0029 0.0039 0.0067
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1714 1 1
Mycobacterium ulcerans hydrolase MutT1 0.0029 0.0039 0.0067
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0029 0.0039 0.5
Mycobacterium tuberculosis Conserved protein 0.0029 0.0039 0.5
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0029 0.0039 0.0039
Trypanosoma brucei Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative 0.0029 0.0039 0.0039
Echinococcus multilocularis dual specificity protein kinase clk2 0.0059 0.0216 0.0177
Leishmania major protein kinase, putative 0.0059 0.0216 0.0216
Loa Loa (eye worm) phosphoglycerate mutase 0.0029 0.0039 0.0039
Trypanosoma brucei phosphoglycerate mutase, putative 0.0029 0.0039 0.0039
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0059 0.0216 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0039 0.0039
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0059 0.0216 0.0216
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0029 0.0039 0.0039
Brugia malayi phosphoglycerate mutase family protein 0.0029 0.0039 0.0327
Mycobacterium ulcerans phosphohistidine phosphatase SixA 0.0029 0.0039 0.0067
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.1012 0.5848 1
Mycobacterium tuberculosis Conserved protein 0.0029 0.0039 0.5
Echinococcus granulosus hypothetical protein 0.0058 0.0213 0.0175
Treponema pallidum phosphoglyceromutase 0.0029 0.0039 0.5
Mycobacterium ulcerans hypothetical protein 0.1012 0.5848 1
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0029 0.0039 0.0039
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0029 0.0039 0.5
Loa Loa (eye worm) hypothetical protein 0.1714 1 1
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.1714 1 1
Mycobacterium ulcerans acid phosphatase 0.0029 0.0039 0.0067
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0029 0.0039 0.0039
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1714 1 1
Brugia malayi follicle stimulating hormone receptor 0.0225 0.12 1
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0029 0.0039 0.0039
Mycobacterium leprae conserved hypothetical protein 0.0029 0.0039 0.5
Plasmodium vivax serine/threonine kinase-1, putative 0.0059 0.0216 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0731 0.4191 0.4191
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0059 0.0216 0.0216
Mycobacterium ulcerans phosphoglyceromutase 0.0029 0.0039 0.0067
Leishmania major fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein 0.0029 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0058 0.0213 0.0213
Brugia malayi UBASH3A protein homolog 0.0029 0.0039 0.0327
Mycobacterium leprae probable isochorismate synthase EntC 0.0029 0.0039 0.5
Plasmodium falciparum protein serine/threonine kinase-1 0.0059 0.0216 1
Leishmania major protein kinase, putative 0.0059 0.0216 0.0216
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1714 1 1
Mycobacterium leprae Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0029 0.0039 0.5
Giardia lamblia Hypothetical protein 0.1012 0.5848 1
Onchocerca volvulus 0.1714 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0216 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1685 0.9829 0.9829
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0029 0.0039 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0029 0.0039 0.5
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0029 0.0039 0.0039
Mycobacterium leprae conserved hypothetical protein 0.0029 0.0039 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0731 0.4191 0.4191
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0059 0.0216 0.0216
Loa Loa (eye worm) hypothetical protein 0.1685 0.9829 0.9829
Leishmania major glycerolphosphate mutase, putative 0.0029 0.0039 0.0039
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0029 0.0039 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0039 0.0039
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1685 0.9829 0.9829
Mycobacterium ulcerans hypothetical protein 0.0029 0.0039 0.0067
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0029 0.0039 0.0039
Leishmania major phosphoglycerate mutase, putative 0.0029 0.0039 0.0039
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1685 0.9829 0.9829
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0029 0.0039 0.0039
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0029 0.0039 0.0039
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0029 0.0039 0.0039
Leishmania major hypothetical protein, conserved 0.0029 0.0039 0.0039
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0225 0.12 0.12
Trypanosoma brucei glycerolphosphate mutase, putative 0.0029 0.0039 0.0039
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0029 0.0039 0.0039
Brugia malayi phosphoglycerate mutase family protein 0.0029 0.0039 0.0327
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0029 0.0039 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.1685 0.9829 0.9829
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.0216 0.0177
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0029 0.0039 0.0039
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0731 0.4191 0.4191
Echinococcus granulosus dual specificity protein kinase clk2 0.0059 0.0216 0.0177
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0029 0.0039 0.0039
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0029 0.0039 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0039 0.0039
Leishmania major hypothetical protein, conserved 0.0029 0.0039 0.0039
Leishmania major phosphoglycerate mutase family member 5, putative 0.0029 0.0039 0.0039
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0029 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0029 0.0039 0.0039
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0029 0.0039 0.5
Mycobacterium ulcerans hypothetical protein 0.0029 0.0039 0.0067
Schistosoma mansoni 6-phosphofructokinase 0.1714 1 1
Brugia malayi Protein kinase domain containing protein 0.0059 0.0216 0.1799
Loa Loa (eye worm) hypothetical protein 0.0983 0.5677 0.5677
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0059 0.0059
Mycobacterium ulcerans phosphoglycerate mutase 0.0029 0.0039 0.0067
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0029 0.0039 0.5
Mycobacterium leprae conserved hypothetical protein 0.0029 0.0039 0.5
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0059 0.0216 0.0216
Leishmania major hypothetical protein, unknown function 0.0029 0.0039 0.0039
Brugia malayi Cytochrome P450 family protein 0.0032 0.0059 0.0494
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1714 1 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0059 0.0216 0.0216
Giardia lamblia Hypothetical protein 0.1012 0.5848 1
Mycobacterium ulcerans bifunctional RNase H/acid phosphatase 0.0029 0.0039 0.0067
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0029 0.0039 0.0039
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0029 0.0039 0.0039
Echinococcus multilocularis 0.0058 0.0213 0.0175
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0059 0.0216 0.0216
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0029 0.0039 0.0039
Leishmania major phosphoglycerate mutase protein, putative 0.0029 0.0039 0.0039
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0029 0.0039 0.5
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.1012 0.5848 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0059 0.0216 0.0216
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0029 0.0039 0.0039
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.0216 0.0177
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0029 0.0039 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.0731 0.4191 0.4191
Mycobacterium leprae Possible phosphoglycerate mutase 0.0029 0.0039 0.5
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0029 0.0039 0.0039
Trypanosoma brucei phosphoglycerate mutase protein, putative 0.0029 0.0039 0.0039
Leishmania major hypothetical protein, conserved 0.0029 0.0039 0.0039

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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