Detailed information for compound 774448

Basic information

Technical information
  • TDR Targets ID: 774448
  • Name: 1,3-bis(dimethylamino)propan-2-yl 5-methyl-1- benzofuran-2-carboxylate
  • MW: 304.384 | Formula: C17H24N2O3
  • H donors: 0 H acceptors: 1 LogP: 3.02 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CC(OC(=O)c1cc2c(o1)ccc(c2)C)CN(C)C)C
  • InChi: 1S/C17H24N2O3/c1-12-6-7-15-13(8-12)9-16(22-15)17(20)21-14(10-18(2)3)11-19(4)5/h6-9,14H,10-11H2,1-5H3
  • InChiKey: VYGSDUYHLJSPOA-UHFFFAOYSA-N  

Network

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Synonyms

  • [2-dimethylamino-1-(dimethylaminomethyl)ethyl] 5-methylbenzofuran-2-carboxylate
  • 5-methyl-2-benzofurancarboxylic acid [2-dimethylamino-1-(dimethylaminomethyl)ethyl] ester
  • 5-methylbenzofuran-2-carboxylic acid [2-dimethylamino-1-(dimethylaminomethyl)ethyl] ester
  • ChemDiv2_002033

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
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0027 0 0.5
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0324 0.9947 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0046 0.064 0.0643
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0326 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1078 0.1084
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1078 0.1078
Chlamydia trachomatis D-amino acid dehydrogenase 0.0027 0 0.5
Echinococcus multilocularis zinc finger protein 0.004 0.0436 0.0438
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0262 0.0262
Trypanosoma cruzi ISWI complex protein 0.0031 0.0142 0.0143
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0027 0 0.5
Leishmania major hypothetical protein, conserved 0.0031 0.0142 0.0143
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0324 0.9947 0.9947
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1078 0.1078
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0324 0.9947 0.9947
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1078 0.1078
Schistosoma mansoni hypothetical protein 0.0031 0.0142 0.0142
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0074 0.156 0.1568
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0035 0.0262 0.0264
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0074 0.156 0.1568
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0123 0.3193 0.321
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0262 0.0262
Brugia malayi PHD-finger family protein 0.0051 0.0802 0.0807
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0027 0 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1078 0.1078
Loa Loa (eye worm) hypothetical protein 0.0084 0.189 0.189
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0123 0.3193 0.321
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0324 0.9947 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1078 0.1078
Loa Loa (eye worm) hypothetical protein 0.0088 0.2021 0.2021
Trypanosoma brucei ISWI complex protein 0.0031 0.0142 0.0143
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1078 0.1084
Trypanosoma cruzi ISWI complex protein 0.0031 0.0142 0.0143
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1078 0.1084
Schistosoma mansoni d-amino acid oxidase 0.0326 1 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0324 0.9947 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0324 0.9947 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0324 0.9947 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0035 0.0262 0.0262
Schistosoma mansoni methyl-cpg binding protein mbd 0.0035 0.0262 0.0262
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0027 0 0.5
Schistosoma mansoni zinc finger protein 0.004 0.0436 0.0436
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0262 0.0264
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0046 0.064 0.064
Echinococcus multilocularis transcription factor Dp 1 0.0188 0.5375 0.5403
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0046 0.064 0.0643
Loa Loa (eye worm) bromodomain containing protein 0.0036 0.0304 0.0304
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0299 0.9091 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0262 0.0262
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0262 0.0264
Schistosoma mansoni bromodomain containing protein 0.013 0.3439 0.3439
Echinococcus granulosus methyl CpG binding domain protein 2 0.0035 0.0262 0.0264
Echinococcus granulosus zinc finger protein 0.004 0.0436 0.0438
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0324 0.9947 1
Echinococcus granulosus transcription factor Dp 1 0.0188 0.5375 0.5403
Schistosoma mansoni zinc finger protein 0.0031 0.0142 0.0142
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0027 0 0.5
Onchocerca volvulus Putative fad oxidoreductase 0.0027 0 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0042 0.0508 0.0508
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.1078 0.1186
Schistosoma mansoni hypothetical protein 0.0042 0.0508 0.0508
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0324 0.9947 1
Brugia malayi Bromodomain containing protein 0.0079 0.1722 0.1731
Brugia malayi Bromodomain containing protein 0.0154 0.4244 0.4266
Loa Loa (eye worm) hypothetical protein 0.0145 0.395 0.395
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0326 1 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0324 0.9947 1
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1078 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.1727 0.1727

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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