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

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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