Detailed information for compound 448814

Basic information

Technical information
  • TDR Targets ID: 448814
  • Name: N,N-dibenzyl-4-methoxyaniline
  • MW: 303.398 | Formula: C21H21NO
  • H donors: 0 H acceptors: 0 LogP: 5 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
  • InChi: 1S/C21H21NO/c1-23-21-14-12-20(13-15-21)22(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3
  • InChiKey: CFNHDBSFANUKKQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N,N-dibenzyl-4-methoxy-aniline
  • 4-methoxy-N,N-bis(phenylmethyl)aniline
  • dibenzyl-(4-methoxyphenyl)amine
  • bis(benzyl)-(4-methoxyphenyl)amine
  • 18613-55-3
  • ZINC01043196
  • Oprea1_396535
  • EINECS 242-447-6
  • N,N-Dibenzyl-p-anisidine
  • Maybridge1_006187

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
Brugia malayi Matrixin family protein 0.1475 0.7394 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.1335 0.1805
Loa Loa (eye worm) hypothetical protein 0.0506 0.241 0.3259
Echinococcus multilocularis carbonic anhydrase 0.0272 0.1204 0.1104
Loa Loa (eye worm) matrixin family protein 0.0922 0.4549 0.6152
Brugia malayi Matrixin family protein 0.0416 0.1944 0.2323
Onchocerca volvulus Matrilysin homolog 0.1392 0.6967 1
Schistosoma mansoni hypothetical protein 0.0272 0.1204 0.2569
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0095 0.0294 0.0184
Echinococcus granulosus carbonic anhydrase II 0.0579 0.2783 0.2701
Loa Loa (eye worm) hypothetical protein 0.0089 0.0265 0.0358
Trypanosoma brucei carbonic anhydrase-like protein 0.0579 0.2783 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0272 0.1204 0.1628
Echinococcus granulosus Tolloid protein 1 0.0093 0.0284 0.0174
Echinococcus multilocularis geminin 0.0173 0.0694 0.0588
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0272 0.1204 0.1281
Loa Loa (eye worm) hypothetical protein 0.0272 0.1204 0.1628
Loa Loa (eye worm) hypothetical protein 0.0423 0.1983 0.2682
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0579 0.2783 0.5
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0272 0.1204 0.1281
Schistosoma mansoni hypothetical protein 0.059 0.2838 0.6415
Loa Loa (eye worm) hypothetical protein 0.0886 0.4361 0.5898
Loa Loa (eye worm) AStacin protease 0.0058 0.0105 0.0141
Schistosoma mansoni carbonic anhydrase 0.0272 0.1204 0.2569
Echinococcus multilocularis Tolloid protein 1 0.0093 0.0284 0.0174
Echinococcus granulosus carbonic anhydrase 0.0272 0.1204 0.1104
Brugia malayi Matrixin family protein 0.0416 0.1944 0.2323
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0095 0.0294 0.0428
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0579 0.2783 0.3506
Loa Loa (eye worm) hypothetical protein 0.0416 0.1944 0.2629
Onchocerca volvulus Matrix metalloproteinase homolog 0.0922 0.4549 0.5708
Schistosoma mansoni carbonic anhydrase-related 0.0272 0.1204 0.2569
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0126 0.0455 0.0347
Echinococcus multilocularis carbonic anhydrase 0.0272 0.1204 0.1104
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.027 0.1195 0.2547
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0579 0.2783 0.3506
Brugia malayi Hemopexin family protein 0.059 0.2838 0.3583
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0272 0.1204 0.1281
Loa Loa (eye worm) hypothetical protein 0.0272 0.1204 0.1628
Mycobacterium ulcerans hydrolase 0.0506 0.241 1
Brugia malayi hypothetical protein 0.0297 0.1335 0.1466
Leishmania major carbonic anhydrase-like protein 0.0579 0.2783 1
Loa Loa (eye worm) matrixin family protein 0.1475 0.7394 1
Loa Loa (eye worm) hypothetical protein 0.0416 0.1944 0.2629
Mycobacterium leprae PROBABLE HYDROLASE 0.0506 0.241 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0579 0.2783 0.3764
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0579 0.2783 0.6287
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.1982 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0579 0.2783 0.6287
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0506 0.241 0.8415
Brugia malayi Matrixin family protein 0.0416 0.1944 0.2323
Echinococcus granulosus adam 17 protease 0.0222 0.0945 0.0842
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0272 0.1204 0.1281
Schistosoma mansoni carbonic anhydrase-related 0.0272 0.1204 0.2569
Onchocerca volvulus 0.059 0.2838 0.2669
Echinococcus granulosus geminin 0.0173 0.0694 0.0588
Echinococcus multilocularis carbonic anhydrase 0.0272 0.1204 0.1104
Onchocerca volvulus Matrilysin homolog 0.0416 0.1944 0.1081
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0579 0.2783 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0272 0.1204 0.1281
Onchocerca volvulus 0.0416 0.1944 0.1081
Echinococcus granulosus carbonic anhydrase 0.0272 0.1204 0.1104
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0093 0.0284 0.0385
Brugia malayi Matrixin family protein 0.0416 0.1944 0.2323
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0093 0.0284 0.0405
Loa Loa (eye worm) carbonic anhydrase 3 0.0579 0.2783 0.3764
Echinococcus multilocularis adam 17 protease 0.0202 0.0841 0.0737
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0506 0.241 0.298
Mycobacterium tuberculosis Possible exported protein 0.0591 0.2843 1
Echinococcus multilocularis carbonic anhydrase II 0.0579 0.2783 0.2701
Plasmodium falciparum carbonic anhydrase 0.0272 0.1204 0.5
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0886 0.4361 1
Schistosoma mansoni carbonic anhydrase-related 0.0272 0.1204 0.2569
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0202 0.0841 0.1716
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0126 0.0455 0.0347
Loa Loa (eye worm) hypothetical protein 0.0272 0.1204 0.1628
Schistosoma mansoni hypothetical protein 0.0173 0.0694 0.1369
Echinococcus granulosus carbonic anhydrase 0.0272 0.1204 0.1104
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0095 0.0294 0.0184
Loa Loa (eye worm) matrix metalloproteinase 0.0416 0.1944 0.2629
Schistosoma mansoni hypothetical protein 0.0173 0.0694 0.1369
Toxoplasma gondii hypothetical protein 0.0272 0.1204 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 12 ug ml-1 Growth inhibition of mouse L929 cells after 5 days by MTT assay ChEMBL. 17870540
IC50 (functional) = 12 ug ml-1 Growth inhibition of mouse L929 cells after 5 days by MTT assay ChEMBL. 17870540

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 17870540

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.