Detailed information for compound 563447

Basic information

Technical information
  • TDR Targets ID: 563447
  • Name: 1,3-dimethoxy-5-methyl-benzene
  • MW: 152.19 | Formula: C9H12O2
  • H donors: 0 H acceptors: 0 LogP: 2.23 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)cc(c1)C
  • InChi: 1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3
  • InChiKey: RIZBLVRXRWHLFA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,3-dimethoxy-5-methylbenzene
  • 3,5-dimethoxytoluene
  • 4179-19-5
  • ST5308659
  • ZINC00396076
  • AI3-21137
  • 5-Methylresorcinol dimethyl ether
  • Benzene, 1,3-dimethoxy-5-methyl-
  • NSC72352
  • Orcinol dimethyl ether
  • Toluene, 3,5-dimethoxy-
  • EINECS 224-048-9
  • NSC 72352
  • 423742_ALDRICH
  • InChI=1/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H

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
Brugia malayi Pre-SET motif family protein 0.0029 0.0232 0.0808
Entamoeba histolytica hypothetical protein 0.0035 0.0322 0.6557
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0014 0 0.5
Echinococcus granulosus chromobox protein 1 0.0068 0.0821 0.0821
Loa Loa (eye worm) hypothetical protein 0.0035 0.0314 0.1095
Loa Loa (eye worm) hypothetical protein 0.0046 0.0492 0.1713
Onchocerca volvulus 0.0046 0.0492 0.1492
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0492 0.1702
Brugia malayi chromobox protein homolog 3 0.0038 0.0368 0.1282
Schistosoma mansoni chromobox protein 0.0068 0.0821 0.0821
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0412 0.0687
Loa Loa (eye worm) hypothetical protein 0.003 0.0243 0.0847
Trypanosoma brucei pteridine reductase 1 0.0014 0 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0673 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0492 0.1702
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0232 0.0232
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0322 0.0322
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0492 0.1713
Loa Loa (eye worm) hypothetical protein 0.0046 0.0492 0.1713
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0232 0.0232
Mycobacterium ulcerans hypothetical protein 0.0046 0.0492 0.1702
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.0492 1
Trichomonas vaginalis set domain proteins, putative 0.0231 0.3295 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0204 0.2889 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0046 0.0492 0.1702
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.0314 0.1088
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.0492 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0014 0 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0216 0.0216
Loa Loa (eye worm) hypothetical protein 0.0029 0.0232 0.0808
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.0314 0.1088
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.0314 0.1088
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.0492 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.0314 0.1088
Onchocerca volvulus 0.003 0.0243 0.0738
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0014 0 0.5
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0314 0.1088
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0322 0.0322
Loa Loa (eye worm) hypothetical protein 0.0035 0.0314 0.1095
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0046 0.0492 0.1702
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.0492 1
Trichomonas vaginalis hypothetical protein 0.0204 0.2889 0.869
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0232 0.0232
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0046 0.0492 0.1702
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.0492 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0286 0.0989
Loa Loa (eye worm) hypothetical protein 0.0035 0.0314 0.1095
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0286 0.0989
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0368 0.1117
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0412 0.0687
Echinococcus multilocularis chromobox protein 1 0.0068 0.0821 0.0821
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0286 0.0989
Loa Loa (eye worm) hypothetical protein 0.0046 0.0492 0.1713
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.0492 0.1702
Entamoeba histolytica acyl-coA synthetase, putative 0.0046 0.0492 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0204 0.2889 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0046 0.0492 0.1702
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0821 0.2008
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0204 0.2889 1
Onchocerca volvulus 0.0231 0.3295 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.0204 0.2889 1
Schistosoma mansoni hypothetical protein 0.0035 0.0322 0.0322
Loa Loa (eye worm) hypothetical protein 0.0035 0.0314 0.1095
Loa Loa (eye worm) hypothetical protein 0.0035 0.0314 0.1095
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0368 0.0545
Entamoeba histolytica hypothetical protein 0.0035 0.0322 0.6557
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0232 0.0232
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0368 0.0545
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0046 0.0492 0.1702
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0821 0.2861
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0204 0.2889 1
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0492 0.1713
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0286 0.0989
Brugia malayi Heterochromatin protein 1 0.0068 0.0821 0.2861
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.004 0.04 0.04
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0412 0.125
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0322 0.0322
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0492 0.1713
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0204 0.2889 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0232 0.0232
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0232 0.0232
Echinococcus multilocularis microtubule associated protein 2 0.0673 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0368 0.1282
Brugia malayi Pre-SET motif family protein 0.0203 0.2869 1
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0204 0.2889 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0046 0.0492 0.1702
Entamoeba histolytica hypothetical protein 0.0035 0.0322 0.6557
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0204 0.2889 1
Echinococcus granulosus chromobox protein 1 0.0068 0.0821 0.0821
Echinococcus multilocularis chromobox protein 1 0.0068 0.0821 0.0821
Onchocerca volvulus 0.004 0.04 0.1216
Schistosoma mansoni chromobox protein 0.0068 0.0821 0.0821
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0492 0.1702
Entamoeba histolytica hypothetical protein 0.0035 0.0322 0.6557
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0232 0.0802
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0821 0.2008
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0014 0 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.2869 1
Brugia malayi hypothetical protein 0.0035 0.0322 0.1124
Plasmodium vivax SET domain protein, putative 0.0029 0.0232 0.0802
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.0492 0.1702
Trypanosoma brucei oxidoreductase-like protein 0.0014 0 0.5

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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