Detailed information for compound 791814

Basic information

Technical information
  • TDR Targets ID: 791814
  • Name: N-[(4-ethoxyphenyl)methyl]-9-methyl-2-(2-meth ylpropyl)-1-oxopyrido[5,4-b]indole-4-carboxam ide
  • MW: 431.527 | Formula: C26H29N3O3
  • H donors: 1 H acceptors: 2 LogP: 4.09 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)CNC(=O)c1cn(CC(C)C)c(=O)c2c1c1ccccc1n2C
  • InChi: 1S/C26H29N3O3/c1-5-32-19-12-10-18(11-13-19)14-27-25(30)21-16-29(15-17(2)3)26(31)24-23(21)20-8-6-7-9-22(20)28(24)4/h6-13,16-17H,5,14-15H2,1-4H3,(H,27,30)
  • InChiKey: CMQDPMDSGYHIRV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-ethoxyphenyl)methyl]-2-isobutyl-9-methyl-1-oxo-pyrido[5,4-b]indole-4-carboxamide
  • N-[(4-ethoxyphenyl)methyl]-2-isobutyl-9-methyl-1-oxo-4-pyrido[5,4-b]indolecarboxamide
  • N-(4-ethoxybenzyl)-2-isobutyl-1-keto-9-methyl-$b-carboline-4-carboxamide
  • N-[(4-ethoxyphenyl)methyl]-9-methyl-2-(2-methylpropyl)-1-oxo-pyrido[5,4-b]indole-4-carboxamide
  • UNM000000820601
  • EU-0057376

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 CAAX amino terminal protease, putative 0.0181 0.7444 1
Brugia malayi Ets-domain containing protein 0.0075 0.2312 0.2272
Echinococcus multilocularis CAAX prenyl protease 2 0.0181 0.7444 0.7431
Toxoplasma gondii hypothetical protein 0.0037 0.0457 1
Brugia malayi CAAX amino terminal protease family protein 0.0181 0.7444 0.7431
Brugia malayi Ets-domain containing protein 0.0075 0.2312 0.2272
Mycobacterium ulcerans integral membrane protein 0.0037 0.0457 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0368 0.0318
Schistosoma mansoni hypothetical protein 0.017 0.69 0.7033
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0181 0.7444 1
Brugia malayi MH2 domain containing protein 0.0124 0.4694 0.4667
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0181 0.7444 1
Plasmodium falciparum protease, putative 0.0037 0.0457 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1168 0.1122
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0052 0.0052
Schistosoma mansoni alpha-glucosidase 0.0138 0.5377 0.5469
Echinococcus multilocularis survival motor neuron protein 1 0.0233 1 1
Brugia malayi Muscleblind-like protein 0.0147 0.5816 0.5794
Schistosoma mansoni hypothetical protein 0.0048 0.0957 0.093
Schistosoma mansoni ets-related 0.0229 0.9789 1
Schistosoma mansoni alpha glucosidase 0.0036 0.0377 0.0334
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.4694 0.4667
Onchocerca volvulus 0.0048 0.0957 0.0925
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0037 0.0457 0.5
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0037 0.0457 0.5
Echinococcus granulosus CAAX prenyl protease 2 0.0181 0.7444 0.7444
Mycobacterium ulcerans hypothetical protein 0.0037 0.0457 0.5
Echinococcus multilocularis geminin 0.017 0.69 0.6884
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0181 0.7444 0.7592
Toxoplasma gondii CAAX amino terminal protease family protein 0.0037 0.0457 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.6467 0.6449
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0377 0.0377
Mycobacterium tuberculosis Conserved hypothetical protein 0.0037 0.0457 0.5
Echinococcus multilocularis muscleblind protein 1 0.0147 0.5816 0.5794
Entamoeba histolytica CAAX prenyl protease family 0.0181 0.7444 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0377 0.0327
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0377 0.0327
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0161 0.6467 0.6449
Schistosoma mansoni survival motor neuron protein 0.0048 0.0957 0.093
Toxoplasma gondii hypothetical protein 0.0037 0.0457 1
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.4694 0.4667
Chlamydia trachomatis hypothetical protein 0.0037 0.0457 0.5
Mycobacterium ulcerans hypothetical protein 0.0037 0.0457 0.5
Echinococcus multilocularis muscleblind protein 0.0147 0.5816 0.5794
Onchocerca volvulus 0.023 0.9842 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0075 0.2312 0.2272
Echinococcus granulosus muscleblind protein 0.0147 0.5816 0.5816
Onchocerca volvulus 0.0093 0.3167 0.3182
Schistosoma mansoni hypothetical protein 0.0036 0.0368 0.0325
Echinococcus granulosus geminin 0.017 0.69 0.69
Loa Loa (eye worm) hypothetical protein 0.0147 0.5816 0.5794
Echinococcus granulosus survival motor neuron protein 1 0.0233 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0161 0.6467 0.6449
Treponema pallidum hypothetical protein 0.0037 0.0457 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0957 0.091
Entamoeba histolytica CAAX amino terminal protease family 0.0037 0.0457 0.0113
Trichomonas vaginalis set domain proteins, putative 0.023 0.9842 1
Mycobacterium tuberculosis Probable integral membrane protein 0.0037 0.0457 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1168 0.1122
Loa Loa (eye worm) fli-1 protein 0.0229 0.9789 0.9788
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.6467 0.6449
Giardia lamblia Hypothetical protein 0.0181 0.7444 0.5
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0181 0.7444 0.7592
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.8482 0.8474
Echinococcus multilocularis GA binding protein alpha chain 0.0075 0.2312 0.2272
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1168 0.1122
Brugia malayi Fli-1 protein 0.0229 0.9789 0.9788
Schistosoma mansoni hypothetical protein 0.017 0.69 0.7033
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0181 0.7444 0.7467
Loa Loa (eye worm) hypothetical protein 0.0065 0.178 0.1737
Schistosoma mansoni gabp alpha 0.0075 0.2312 0.2322
Loa Loa (eye worm) hypothetical protein 0.0052 0.1168 0.1122
Plasmodium vivax protease, putative 0.0037 0.0457 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0368 0.0318
Loa Loa (eye worm) hypothetical protein 0.0147 0.5816 0.5794
Echinococcus granulosus GA binding protein alpha chain 0.0075 0.2312 0.2312
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0377 0.8027
Schistosoma mansoni alpha-glucosidase 0.0138 0.5377 0.5469
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0181 0.7444 1
Entamoeba histolytica CAAX amino terminal protease family 0.0037 0.0457 0.0113
Loa Loa (eye worm) hypothetical protein 0.0181 0.7444 0.7431
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0377 0.0327
Brugia malayi Pre-SET motif family protein 0.0202 0.8482 0.8474
Echinococcus granulosus lysosomal alpha glucosidase 0.0161 0.6467 0.6467

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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