Detailed information for compound 647914

Basic information

Technical information
  • TDR Targets ID: 647914
  • Name: 1,3-dimethoxy-2-[3-(4-methylphenoxy)propoxy]b enzene
  • MW: 302.365 | Formula: C18H22O4
  • H donors: 0 H acceptors: 0 LogP: 4.22 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1OCCCOc1ccc(cc1)C)OC
  • InChi: 1S/C18H22O4/c1-14-8-10-15(11-9-14)21-12-5-13-22-18-16(19-2)6-4-7-17(18)20-3/h4,6-11H,5,12-13H2,1-3H3
  • InChiKey: RUHYEXJPFWULNE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC02987046

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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0505 0.0505
Schistosoma mansoni microtubule-associated protein tau 0.0671 1 1
Loa Loa (eye worm) metallo-beta-lactamase superfamily protein 0.024 0.347 1
Entamoeba histolytica type A flavoprotein, putative 0.024 0.347 0.5
Brugia malayi metallo-beta-lactamase superfamily protein 0.024 0.347 1
Trichomonas vaginalis beta lactamase domain, putative 0.024 0.347 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0828 0.2388
Chlamydia trachomatis ribonuclease Z 0.024 0.347 0.5
Mycobacterium tuberculosis Conserved protein 0.024 0.347 1
Trichomonas vaginalis conserved hypothetical protein 0.024 0.347 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.024 0.347 1
Schistosoma mansoni zinc phosphodiesterase 0.024 0.347 0.347
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.024 0.347 1
Brugia malayi MAP kinase sur-1 0.005 0.0582 0.1678
Mycobacterium ulcerans glyoxalase II, GloB 0.024 0.347 1
Plasmodium vivax unspecified product 0.024 0.347 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0828 0.2388
Onchocerca volvulus Putative hydrolase PNKD 0.024 0.347 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0066 0.0828 0.2388
Echinococcus granulosus acetylcholinesterase 0.0066 0.0828 0.0828
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0505 0.0505
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0505 0.1456
Onchocerca volvulus 0.024 0.347 1
Schistosoma mansoni hypothetical protein 0.024 0.347 0.347
Loa Loa (eye worm) carboxylesterase 0.0066 0.0828 0.2388
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0582 0.1678
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0582 0.0582
Loa Loa (eye worm) hypothetical protein 0.024 0.347 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0505 0.1456
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.024 0.347 0.347
Loa Loa (eye worm) hypothetical protein 0.024 0.347 1
Trypanosoma brucei metallo-beta-lactamase-like protein, putative 0.024 0.347 1
Entamoeba histolytica alkyl sulfatase, putative 0.024 0.347 0.5
Trypanosoma cruzi glyoxalase II 0.024 0.347 1
Leishmania major metallo-beta-lactamase family protein-like protein 0.024 0.347 1
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.024 0.347 1
Onchocerca volvulus Hydroxyacylglutathione hydrolase, mitochondrial homolog 0.024 0.347 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0505 0.0505
Trichomonas vaginalis conserved hypothetical protein 0.024 0.347 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.024 0.347 1
Echinococcus multilocularis carboxylesterase 5A 0.0066 0.0828 0.0828
Entamoeba histolytica alkyl sulfatase, putative 0.024 0.347 0.5
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.024 0.347 0.5
Trypanosoma brucei hydroxyacylglutathione hydrolase, putative 0.024 0.347 1
Brugia malayi metallo-beta-lactamase superfamily protein 0.024 0.347 1
Loa Loa (eye worm) hydroxyacylglutathione hydrolase 0.024 0.347 1
Mycobacterium tuberculosis Possible hydrolase 0.024 0.347 1
Echinococcus multilocularis acetylcholinesterase 0.0066 0.0828 0.0828
Trichomonas vaginalis conserved hypothetical protein 0.024 0.347 1
Mycobacterium tuberculosis Conserved protein 0.024 0.347 1
Entamoeba histolytica metallo-beta-lactamase family protein 0.024 0.347 0.5
Trichomonas vaginalis apoptosis inducing factor, putative 0.024 0.347 1
Brugia malayi Carboxylesterase family protein 0.0066 0.0828 0.2388
Mycobacterium ulcerans hypothetical protein 0.024 0.347 1
Trypanosoma brucei glyoxalase II 0.024 0.347 1
Mycobacterium ulcerans hypothetical protein 0.024 0.347 1
Trichomonas vaginalis conserved hypothetical protein 0.024 0.347 1
Brugia malayi Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site. 0.024 0.347 1
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0582 0.0582
Giardia lamblia Hydroxyacylglutathione hydrolase 0.024 0.347 1
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.024 0.347 0.5
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0582 0.1678
Mycobacterium ulcerans hydrolase 0.024 0.347 1
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0582 0.0582
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0582 0.0582
Trichomonas vaginalis A-type flavoprotein 0.024 0.347 1
Plasmodium vivax hydroxyacyl glutathione hydrolase, putative 0.024 0.347 0.5
Mycobacterium leprae conserved hypothetical protein 0.024 0.347 0.5
Mycobacterium tuberculosis Possible hydrolase 0.024 0.347 1
Echinococcus granulosus carboxylesterase 5A 0.0066 0.0828 0.0828
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.024 0.347 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0582 0.1678
Schistosoma mansoni hypothetical protein 0.024 0.347 0.347
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0582 0.0582
Echinococcus multilocularis acetylcholinesterase 0.0066 0.0828 0.0828
Loa Loa (eye worm) hypothetical protein 0.024 0.347 1
Trichomonas vaginalis beta lactamase domain, putative 0.024 0.347 1
Trichomonas vaginalis conserved hypothetical protein 0.024 0.347 1
Mycobacterium leprae Beta-lactamase-like protein 0.024 0.347 0.5
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.024 0.347 0.347
Schistosoma mansoni hypothetical protein 0.024 0.347 0.347
Mycobacterium leprae conserved hypothetical protein 0.024 0.347 0.5
Entamoeba histolytica type A flavoprotein, putative 0.024 0.347 0.5
Echinococcus granulosus metallo beta lactamase domain containing protein 0.024 0.347 0.347
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.024 0.347 1
Treponema pallidum ribonuclease Z 0.024 0.347 0.5
Leishmania major metallo-beta-lactamase family-like protein 0.024 0.347 1
Toxoplasma gondii hydroxyacylglutathione hydrolase 0.024 0.347 1
Trichomonas vaginalis beta lactamase domain, putative 0.024 0.347 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0582 0.1678
Loa Loa (eye worm) hypothetical protein 0.024 0.347 1
Echinococcus multilocularis ETHE1 protein 0.024 0.347 0.347
Mycobacterium ulcerans hypothetical protein 0.024 0.347 1
Leishmania major hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative 0.024 0.347 1
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.024 0.347 1
Trichomonas vaginalis beta lactamase domain, putative 0.024 0.347 1
Echinococcus granulosus ETHE1 protein 0.024 0.347 0.347
Mycobacterium leprae POSSIBLE HYDROLASE 0.024 0.347 0.5
Mycobacterium ulcerans hydrolase 0.024 0.347 1
Mycobacterium tuberculosis Conserved protein 0.024 0.347 1
Plasmodium falciparum cytosolic glyoxalase II 0.024 0.347 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0066 0.0828 0.0828
Entamoeba histolytica metallo-beta-lactamase family protein 0.024 0.347 0.5
Toxoplasma gondii metallo-beta-lactamase domain-containing protein 0.024 0.347 1
Trypanosoma brucei cleavage and polyadenylation specificity factor subunit, putative 0.024 0.347 1
Echinococcus multilocularis zinc phosphodiesterase 0.024 0.347 0.347
Trypanosoma cruzi glyoxalase II 0.024 0.347 1
Mycobacterium ulcerans Zn-dependent glyoxylase 0.024 0.347 1
Onchocerca volvulus 0.024 0.347 1
Trichomonas vaginalis beta lactamase domain, putative 0.024 0.347 1
Echinococcus granulosus acetylcholinesterase 0.0066 0.0828 0.0828
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0505 0.0505
Trichomonas vaginalis beta lactamase domain, putative 0.024 0.347 1
Brugia malayi hypothetical protein 0.024 0.347 1
Leishmania major cleavage and polyadenylation specificity factor, putative 0.024 0.347 1
Mycobacterium ulcerans beta lactamase-like protein 0.024 0.347 1
Echinococcus multilocularis microtubule associated protein 2 0.0671 1 1
Schistosoma mansoni zinc phosphodiesterase 0.024 0.347 0.347
Trichomonas vaginalis conserved hypothetical protein 0.024 0.347 1
Entamoeba histolytica hypothetical protein, conserved 0.024 0.347 0.5
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.024 0.347 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0505 0.0505
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0505 0.0505
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.024 0.347 0.347
Mycobacterium tuberculosis Beta lactamase like protein 0.024 0.347 1
Wolbachia endosymbiont of Brugia malayi metallo-beta-lactamase superfamily hydrolase 0.024 0.347 0.5
Trypanosoma cruzi glyoxalase II 0.024 0.347 1
Leishmania major hypothetical protein, conserved 0.024 0.347 1
Mycobacterium ulcerans hypothetical protein 0.024 0.347 1
Echinococcus granulosus metallo beta lactamase domain containing protein 0.024 0.347 0.347
Entamoeba histolytica metallo-beta-lactamase family protein 0.024 0.347 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0505 0.0505
Brugia malayi ethe1-prov protein 0.024 0.347 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0582 0.1678
Giardia lamblia Hydroxyacylglutathione hydrolase 0.024 0.347 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.024 0.347 1
Giardia lamblia Metallo-beta-lactamase superfamily protein 0.024 0.347 1
Loa Loa (eye worm) hydroxyacylglutathione hydrolase cytoplasmic 0.024 0.347 1
Echinococcus granulosus zinc phosphodiesterase 0.024 0.347 0.347
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.024 0.347 0.347
Brugia malayi Carboxylesterase family protein 0.0066 0.0828 0.2388
Mycobacterium ulcerans hydrolase 0.024 0.347 1
Schistosoma mansoni hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) 0.024 0.347 0.347
Mycobacterium tuberculosis Conserved hypothetical protein 0.024 0.347 1

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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