Detailed information for compound 448811

Basic information

Technical information
  • TDR Targets ID: 448811
  • Name: 4-methoxy-N,N-bis(2-methylpropyl)aniline
  • MW: 235.365 | Formula: C15H25NO
  • H donors: 0 H acceptors: 0 LogP: 4.68 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N(CC(C)C)CC(C)C
  • InChi: 1S/C15H25NO/c1-12(2)10-16(11-13(3)4)14-6-8-15(17-5)9-7-14/h6-9,12-13H,10-11H2,1-5H3
  • InChiKey: LEWUERBZYJDAME-UHFFFAOYSA-N  

Network

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Synonyms

  • N,N-diisobutyl-4-methoxy-aniline
  • N,N-diisobutyl-4-methoxyaniline
  • diisobutyl-(4-methoxyphenyl)amine

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
Loa Loa (eye worm) matrix metalloproteinase 0.0218 0.1779 0.2445
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0265 0.2252 0.3095
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0266 0.2267 0.3115
Trypanosoma brucei carbonic anhydrase-like protein 0.0563 0.5311 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0074 0.0296 0.5
Echinococcus granulosus carbonic anhydrase 0.0265 0.2252 0.2252
Schistosoma mansoni carbonic anhydrase 0.0265 0.2252 0.424
Mycobacterium ulcerans aldehyde dehydrogenase 0.018 0.139 0.555
Leishmania major carbonic anhydrase-like protein 0.0563 0.5311 1
Plasmodium falciparum carbonic anhydrase 0.0265 0.2252 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.018 0.139 0.2617
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.018 0.139 0.139
Echinococcus multilocularis carbonic anhydrase 0.0265 0.2252 0.2252
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.1021 1 1
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0266 0.2267 0.4579
Mycobacterium tuberculosis Possible exported protein 0.0503 0.4693 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0563 0.5311 1
Echinococcus granulosus carbonic anhydrase 0.0265 0.2252 0.2252
Loa Loa (eye worm) matrixin family protein 0.0755 0.7276 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0563 0.5311 1
Brugia malayi hypothetical protein 0.0297 0.2588 0.3558
Echinococcus granulosus geminin 0.0173 0.1312 0.1312
Loa Loa (eye worm) hypothetical protein 0.0266 0.2267 0.3115
Loa Loa (eye worm) hypothetical protein 0.0218 0.1779 0.2445
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.018 0.139 0.139
Echinococcus multilocularis carbonic anhydrase 0.0265 0.2252 0.2252
Brugia malayi Matrixin family protein 0.0218 0.1779 0.2445
Schistosoma mansoni aldehyde dehydrogenase 0.018 0.139 0.2617
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.0296 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.018 0.139 0.2181
Schistosoma mansoni carbonic anhydrase-related 0.0265 0.2252 0.424
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0173 0.1309 0.2465
Onchocerca volvulus Matrix metalloproteinase homolog 0.0485 0.4503 0.5396
Schistosoma mansoni carbonic anhydrase-related 0.0265 0.2252 0.424
Loa Loa (eye worm) carbonic anhydrase 3 0.0563 0.5311 0.7299
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0563 0.5311 0.7299
Onchocerca volvulus 0.0297 0.2588 0.1603
Brugia malayi Inositol-1 0.0074 0.0296 0.0407
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.018 0.139 0.262
Echinococcus multilocularis inositol monophosphatase 1 0.0074 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.0445 0.4104 0.5641
Echinococcus granulosus carbonic anhydrase 0.0265 0.2252 0.2252
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.0296 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0074 0.0296 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0265 0.2252 0.3095
Schistosoma mansoni inositol monophosphatase 0.0074 0.0296 0.0558
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0074 0.0296 0.5
Mycobacterium ulcerans hydrolase 0.0266 0.2267 1
Schistosoma mansoni hypothetical protein 0.031 0.2714 0.511
Mycobacterium ulcerans aldehyde dehydrogenase 0.018 0.139 0.555
Echinococcus granulosus carbonic anhydrase II 0.0563 0.5311 0.5311
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0563 0.5311 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.1779 0.2445
Schistosoma mansoni inositol monophosphatase 0.0074 0.0296 0.0558
Toxoplasma gondii aldehyde dehydrogenase 0.018 0.139 0.5591
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0265 0.2252 0.3095
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0265 0.2252 0.3095
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0563 0.5311 1
Echinococcus granulosus inositol monophosphatase 1 0.0074 0.0296 0.0296
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0445 0.4104 0.7727
Schistosoma mansoni hypothetical protein 0.0173 0.1312 0.2471
Brugia malayi Matrixin family protein 0.0218 0.1779 0.2445
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0563 0.5311 0.7299
Schistosoma mansoni hypothetical protein 0.0265 0.2252 0.424
Onchocerca volvulus Matrilysin homolog 0.0712 0.6828 1
Echinococcus multilocularis carbonic anhydrase 0.0265 0.2252 0.2252
Brugia malayi Matrixin family protein 0.0755 0.7276 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.2588 0.3558
Loa Loa (eye worm) hypothetical protein 0.0265 0.2252 0.3095
Loa Loa (eye worm) hypothetical protein 0.0265 0.2252 0.3095
Mycobacterium leprae PROBABLE HYDROLASE 0.0266 0.2267 1
Loa Loa (eye worm) inositol-1 0.0074 0.0296 0.0407
Brugia malayi Hemopexin family protein 0.031 0.2714 0.373
Schistosoma mansoni carbonic anhydrase-related 0.0265 0.2252 0.424
Brugia malayi Matrixin family protein 0.0218 0.1779 0.2445
Echinococcus multilocularis carbonic anhydrase II 0.0563 0.5311 0.5311
Onchocerca volvulus 0.031 0.2714 0.1851
Schistosoma mansoni hypothetical protein 0.0173 0.1312 0.2471
Toxoplasma gondii hypothetical protein 0.0265 0.2252 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.018 0.139 0.555
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0265 0.2252 0.3095
Echinococcus multilocularis geminin 0.0173 0.1312 0.1312
Loa Loa (eye worm) hypothetical protein 0.0265 0.2252 0.3095
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0563 0.5311 0.7299
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0265 0.2252 0.3095
Loa Loa (eye worm) matrixin family protein 0.0485 0.4503 0.619
Brugia malayi Matrixin family protein 0.0218 0.1779 0.2445

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 25 ug ml-1 Growth inhibition of mouse L929 cells after 5 days by MTT assay ChEMBL. 17870540
IC50 (functional) = 25 ug ml-1 Growth inhibition of mouse L929 cells after 5 days by MTT assay ChEMBL. 17870540

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

1 literature reference was collected for this gene.

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