Detailed information for compound 29696

Basic information

Technical information
  • TDR Targets ID: 29696
  • Name: 2,3-dimethyl-N-phenylaniline
  • MW: 197.276 | Formula: C14H15N
  • H donors: 1 H acceptors: 0 LogP: 4.19 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1c(cccc1C)Nc1ccccc1
  • InChi: 1S/C14H15N/c1-11-7-6-10-14(12(11)2)15-13-8-4-3-5-9-13/h3-10,15H,1-2H3
  • InChiKey: MRPZLXMWCIWOGP-UHFFFAOYSA-N  

Network

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Synonyms

  • 2,3-dimethyl-N-phenyl-aniline
  • (2,3-dimethylphenyl)-phenyl-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
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.042 0.0285 1
Mycobacterium leprae PROBABLE HYDROLASE 0.0226 0.0085 0.0038
Mycobacterium ulcerans peptide deformylase 0.9875 1 1
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0198 0.0057 0.0492
Brugia malayi Matrixin family protein 0.0449 0.0314 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.0411 0.0276 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.0047 0.0622
Loa Loa (eye worm) matrixin family protein 0.0449 0.0314 0.413
Loa Loa (eye worm) hypothetical protein 0.0189 0.0047 0.0622
Plasmodium falciparum peptide deformylase 0.9875 1 0.5
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0198 0.0057 0.0197
Brugia malayi Hemopexin family protein 0.0263 0.0123 0.2947
Echinococcus multilocularis adam 17 protease 0.042 0.0285 0.4765
Trypanosoma brucei Polypeptide deformylase 1 0.3768 0.3725 0.5
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0189 0.0047 0.1641
Loa Loa (eye worm) hypothetical protein 0.0226 0.0085 0.1122
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0674 0.0546 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.0047 0.0622
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0226 0.0085 0.1537
Brugia malayi Peptidase family M13 containing protein 0.0189 0.0047 0.0128
Toxoplasma gondii hypothetical protein 0.9875 1 1
Mycobacterium tuberculosis Possible exported protein 0.1521 0.1416 0.1375
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0198 0.0057 0.0197
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0264 0.0124 0.1541
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.3768 0.3725 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.3768 0.3725 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.3768 0.3725 0.5
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0186 0.0044 0.152
Treponema pallidum polypeptide deformylase (def) 0.9875 1 0.5
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.9875 1 1
Plasmodium vivax peptide deformylase, putative 0.9875 1 0.5
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.9875 1 1
Loa Loa (eye worm) hypothetical protein 0.0186 0.0044 0.0576
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0226 0.0085 0.0038
Mycobacterium ulcerans hydrolase 0.0226 0.0085 0.0038
Leishmania major polypeptide deformylase-like protein, putative 0.3768 0.3725 0.5
Onchocerca volvulus Matrilysin homolog 0.0411 0.0276 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.3768 0.3725 0.5
Loa Loa (eye worm) matrix metalloproteinase 0.0186 0.0044 0.0576
Loa Loa (eye worm) hypothetical protein 0.0186 0.0044 0.0576
Onchocerca volvulus 0.0263 0.0123 0.3431
Loa Loa (eye worm) hypothetical protein 0.0883 0.0761 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.9875 1 0.5
Loa Loa (eye worm) matrixin family protein 0.0411 0.0276 0.3628
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0674 0.0546 1
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0189 0.0047 0.0128
Trypanosoma brucei Peptide deformylase 2 0.3768 0.3725 0.5
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0264 0.0124 0.1541
Schistosoma mansoni hypothetical protein 0.0263 0.0123 0.432
Loa Loa (eye worm) hypothetical protein 0.0186 0.0044 0.0576
Echinococcus granulosus adam 17 protease 0.0462 0.0328 0.5627
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0198 0.0057 0.1987

Activities

Activity type Activity value Assay description Source Reference
clogP = 4.568 Calculated partition coefficient (clogP) ChEMBL. 8487264
Inhibition (functional) = 35.4 % Compound is evaluated for the inhibition of [125I]-T3 uptake by H4 rat hepatoma cells at 0.1 mM ChEMBL. 8487264

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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