Detailed information for compound 1458798

Basic information

Technical information
  • TDR Targets ID: 1458798
  • Name: methyl 2-(3-dimethylaminopropoxy)benzoate
  • MW: 237.295 | Formula: C13H19NO3
  • H donors: 0 H acceptors: 1 LogP: 2.14 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccccc1OCCCN(C)C
  • InChi: 1S/C13H19NO3/c1-14(2)9-6-10-17-12-8-5-4-7-11(12)13(15)16-3/h4-5,7-8H,6,9-10H2,1-3H3
  • InChiKey: RZUXRDICAGZMSM-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(3-dimethylaminopropoxy)benzoic 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
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0279 0.2965 0.0428
Schistosoma mansoni hypothetical protein 0.0479 0.529 0.3592
Echinococcus granulosus lactate dehydrogenase protein 0.0585 0.653 0.5127
Trypanosoma brucei carbonic anhydrase-like protein 0.0884 1 1
Schistosoma mansoni carbonic anhydrase-related 0.0479 0.529 0.3592
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0279 0.2965 0.0121
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0479 0.529 0.529
Trypanosoma brucei cytosolic malate dehydrogenase 0.0279 0.2965 0.0428
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0279 0.2965 0.0428
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0884 1 1
Schistosoma mansoni carbonic anhydrase 0.0479 0.529 0.3592
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0279 0.2965 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0884 1 1
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0279 0.2965 0.2965
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0271 0.2879 0.0311
Loa Loa (eye worm) hypothetical protein 0.0479 0.529 0.529
Plasmodium falciparum carbonic anhydrase 0.0479 0.529 0.6804
Trichomonas vaginalis malate dehydrogenase, putative 0.0279 0.2965 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0884 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0884 1 1
Echinococcus granulosus lactate dehydrogenase a 0.0585 0.653 0.5127
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0884 1 1
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0279 0.2965 0.4541
Loa Loa (eye worm) hypothetical protein 0.0479 0.529 0.529
Entamoeba histolytica malate dehydrogenase, putative 0.0279 0.2965 0.4541
Leishmania major malate dehydrogenase, putative 0.0252 0.265 0.265
Schistosoma mansoni malate dehydrogenase 0.0585 0.653 0.5278
Trypanosoma brucei glycosomal malate dehydrogenase 0.0271 0.2879 0.0311
Plasmodium falciparum malate dehydrogenase 0.0585 0.653 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0479 0.529 0.529
Trichomonas vaginalis malate dehydrogenase, putative 0.0279 0.2965 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0279 0.2965 1
Brugia malayi lactate dehydrogenase. 0.0585 0.653 0.653
Toxoplasma gondii lactate dehydrogenase LDH2 0.0585 0.653 1
Leishmania major malate dehydrogenase 0.0271 0.2879 0.2879
Echinococcus granulosus L lactate dehydrogenase B chain 0.0585 0.653 0.5127
Trichomonas vaginalis malate dehydrogenase, putative 0.0279 0.2965 1
Echinococcus multilocularis carbonic anhydrase 0.0479 0.529 0.3386
Echinococcus granulosus L lactate dehydrogenase 0.0334 0.3606 0.1021
Echinococcus multilocularis lactate dehydrogenase protein 0.0585 0.653 0.5127
Entamoeba histolytica malate dehydrogenase, putative 0.0585 0.653 1
Trichomonas vaginalis malate dehydrogenase, putative 0.015 0.1465 0.1735
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0279 0.2965 1
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0271 0.2879 0.2879
Echinococcus granulosus lactate dehydrogenase a 0.0585 0.653 0.5127
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0479 0.529 0.529
Echinococcus multilocularis carbonic anhydrase II 0.0884 1 1
Loa Loa (eye worm) hypothetical protein 0.0479 0.529 0.529
Loa Loa (eye worm) malate dehydrogenase 0.0271 0.2879 0.2879
Trichomonas vaginalis malate dehydrogenase, putative 0.0279 0.2965 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0279 0.2965 0.0121
Trichomonas vaginalis malate dehydrogenase, putative 0.0279 0.2965 1
Plasmodium falciparum L-lactate dehydrogenase 0.0585 0.653 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0252 0.265 0.8265
Echinococcus multilocularis carbonic anhydrase 0.0479 0.529 0.3386
Schistosoma mansoni malate dehydrogenase 0.0279 0.2965 0.0428
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0271 0.2879 0.0311
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0585 0.653 0.5127
Echinococcus granulosus cytosolic malate dehydrogenase 0.0279 0.2965 0.0121
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0884 1 1
Toxoplasma gondii lactate dehydrogenase LDH1 0.0585 0.653 1
Giardia lamblia Malate dehydrogenase 0.0279 0.2965 0.5
Loa Loa (eye worm) hypothetical protein 0.0585 0.653 0.653
Echinococcus granulosus carbonic anhydrase 0.0479 0.529 0.3386
Loa Loa (eye worm) malate dehydrogenase 0.0279 0.2965 0.2965
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0479 0.529 0.529
Mycobacterium ulcerans malate dehydrogenase 0.0279 0.2965 1
Echinococcus granulosus carbonic anhydrase 0.0479 0.529 0.3386
Schistosoma mansoni L-lactate dehydrogenase 0.0585 0.653 0.5278
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0279 0.2965 0.0121
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0279 0.2965 1
Plasmodium vivax malate dehydrogenase, putative 0.0585 0.653 1
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0585 0.653 0.5
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0884 1 1
Chlamydia trachomatis malate dehydrogenase 0.0279 0.2965 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0279 0.2965 1
Leishmania major mitochondrial malate dehydrogenase 0.0271 0.2879 0.2879
Echinococcus multilocularis lactate dehydrogenase a 0.0585 0.653 0.5127
Leishmania major glycosomal malate dehydrogenase 0.0271 0.2879 0.2879
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0479 0.529 0.529
Leishmania major cytosolic malate dehydrogenase 0.0279 0.2965 0.2965
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0279 0.2965 1
Toxoplasma gondii malate dehydrogenase MDH 0.0585 0.653 1
Leishmania major carbonic anhydrase-like protein 0.0884 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0279 0.2965 1
Echinococcus multilocularis carbonic anhydrase 0.0479 0.529 0.3386
Schistosoma mansoni carbonic anhydrase-related 0.0479 0.529 0.3592
Schistosoma mansoni malate dehydrogenase 0.0271 0.2879 0.0311
Echinococcus multilocularis lactate dehydrogenase a 0.0585 0.653 0.5127
Trichomonas vaginalis malate dehydrogenase, putative 0.0279 0.2965 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0279 0.2965 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0271 0.2879 0.0311
Echinococcus multilocularis lactate dehydrogenase a 0.0585 0.653 0.5127
Schistosoma mansoni malate dehydrogenase 0.0279 0.2965 0.0428
Echinococcus granulosus carbonic anhydrase II 0.0884 1 1
Echinococcus multilocularis L lactate dehydrogenase 0.0334 0.3606 0.1021
Schistosoma mansoni carbonic anhydrase-related 0.0479 0.529 0.3592
Echinococcus granulosus carbonic anhydrase 0.0479 0.529 0.3386
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0271 0.2879 0.0311
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0279 0.2965 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0271 0.2879 0.0311
Leishmania major malate dehydrogenase, putative 0.0585 0.653 0.653
Trichomonas vaginalis malate dehydrogenase, putative 0.0279 0.2965 1
Plasmodium vivax lactate dehydrogenase 0.0585 0.653 1
Onchocerca volvulus 0.0024 0 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0479 0.529 0.529
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0279 0.2965 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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