Detailed information for compound 1870611

Basic information

Technical information
  • TDR Targets ID: 1870611
  • Name: (2-ethyl-6-methyl-phenyl)amine
  • MW: 135.206 | Formula: C9H13N
  • H donors: 1 H acceptors: 0 LogP: 2.4 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cccc(c1N)C
  • InChi: 1S/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3
  • InChiKey: JJVKJJNCIILLRP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 04325_FLUKA
  • 157724_ALDRICH
  • 2-ETHYL-6-METHYLANILINE
  • 2-ethyl-6-methyl-aniline
  • 2-Methyl-6-ethyl aniline
  • 2-Methyl-6-ethylaniline
  • 24549-06-2
  • 3-Ethyl-2-aminotoluene
  • 36771_RIEDEL
  • 4-12-00-02638 (Beilstein Handbook Reference)
  • 6-Ethyl-2-toluidine
  • 6-Ethyl-o-toluidine
  • Aniline, 2-methyl-6-ethyl-
  • Benzenamine, 2-ethyl-6-methyl-
  • BRN 2079468
  • C 25702
  • EINECS 246-309-6
  • InChI=1/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H
  • o-Toluidine, 6-ethyl-
  • ST5213723
  • ZINC02014545

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens androgen receptor Starlite/ChEMBL No references
Homo sapiens jun proto-oncogene Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus granulosus jun protein Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus granulosus Basic leucine zipper bZIP transcription factor Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus multilocularis jun protein Get druggable targets OG5_131442 All targets in OG5_131442
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131442 All targets in OG5_131442
Brugia malayi bZIP transcription factor family protein Get druggable targets OG5_131442 All targets in OG5_131442
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
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0009 0.0069 0.0069
Echinococcus multilocularis FTZ F1 alpha 0.0009 0.0069 0.0069
Schistosoma mansoni steroid hormone receptor ad4bp 0.0009 0.0069 0.0069
Onchocerca volvulus 0.008 0.2693 1
Schistosoma mansoni hypothetical protein 0.0152 0.5383 0.5383
Schistosoma mansoni importin beta-1 0.0026 0.0691 0.0691
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0009 0.0069 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0069 0.0187
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0069
Entamoeba histolytica hypothetical protein 0.0032 0.0929 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0009 0.0069 0.0187
Brugia malayi Steroid receptor seven-up type 2 0.0009 0.0069 0.0187
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0009 0.0069 0.0187
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0009 0.0069 0.0187
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0069 0.0069
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0009 0.0069 0.0069
Echinococcus multilocularis snurportin 1 0.0276 1 1
Brugia malayi hypothetical protein 0.008 0.2693 0.7254
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0069
Entamoeba histolytica hypothetical protein 0.0032 0.0929 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0009 0.0069 0.0069
Brugia malayi ecdysteroid receptor 0.0009 0.0069 0.0187
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0069 0.0187
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0009 0.0069 0.0069
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0041 0.1255 0.1255
Brugia malayi nuclear hormone receptor 0.0009 0.0069 0.0187
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0009 0.0069 0.0069
Echinococcus granulosus jun protein 0.0101 0.3504 0.3504
Schistosoma mansoni transcription factor LCR-F1 0.0032 0.0929 0.0929
Trypanosoma brucei importin beta-1 subunit, putative 0.0026 0.0691 1
Entamoeba histolytica hypothetical protein 0.0032 0.0929 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0009 0.0069 0.0187
Trypanosoma cruzi importin beta-1 subunit, putative 0.0021 0.0509 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0019 0.0437 0.0437
Brugia malayi photoreceptor-specific nuclear receptor 0.0009 0.0069 0.0187
Echinococcus granulosus importin subunit beta 1 0.0026 0.0691 0.0691
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0009 0.0069 0.0069
Brugia malayi hypothetical protein 0.0032 0.0929 0.2503
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0041 0.1255 0.1255
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0021 0.0509 1
Echinococcus multilocularis jun protein 0.0101 0.3504 0.3504
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0019 0.0437 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0009 0.0069 0.0187
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0019 0.0437 0.1176
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0276 1 1
Brugia malayi MH2 domain containing protein 0.0107 0.3712 1
Schistosoma mansoni jun-related protein 0.0082 0.2796 0.2796
Echinococcus granulosus geminin 0.0152 0.5383 0.5383
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0009 0.0069 0.0187
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.1255 0.1255
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0009 0.0069 0.0069
Trypanosoma brucei importin beta-1 subunit, putative 0.0026 0.0691 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0069 0.0069
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0041 0.1255 0.1255
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0069
Plasmodium vivax importin-beta 2, putative 0.0026 0.0691 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0021 0.0509 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0009 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0099 0.34 0.34
Schistosoma mansoni hypothetical protein 0.0152 0.5383 0.5383
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0019 0.0437 0.0437
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0009 0.0069 0.0069
Schistosoma mansoni ran 0.0019 0.0437 0.0437
Plasmodium falciparum importin beta, putative 0.0026 0.0691 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0009 0.0069 0.0069
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0041 0.1255 0.1255
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0101 0.3504 0.3504
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0009 0.0069 0.0069
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0041 0.1255 0.338
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0009 0.0069 0.0187
Entamoeba histolytica hypothetical protein 0.0032 0.0929 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0069 0.0069
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0069 0.0069
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0009 0.0069 0.0069
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0009 0.0069 0.0069
Brugia malayi RNA, U transporter 1 0.0073 0.2465 0.6639
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0009 0.0069 0.0069
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0032 0.0929 0.0929
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0026 0.0691 0.0691
Schistosoma mansoni coup transcription factor 0.0009 0.0069 0.0069
Leishmania major importin beta-1 subunit, putative 0.0021 0.0509 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0009 0.0069 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0069 0.0187
Toxoplasma gondii HEAT repeat-containing protein 0.0026 0.0691 1
Schistosoma mansoni thyroid hormone receptor 0.0009 0.0069 0.0069
Schistosoma mansoni thyroid hormone receptor 0.0009 0.0069 0.0069
Schistosoma mansoni retinoic acid receptor RXR 0.0009 0.0069 0.0069
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0009 0.0069 0.0069
Schistosoma mansoni hypothetical protein 0.0032 0.0929 0.0929
Loa Loa (eye worm) hypothetical protein 0.0009 0.0069 0.0069
Echinococcus granulosus FTZ F1 alpha 0.0009 0.0069 0.0069
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0032 0.0929 0.0929
Echinococcus multilocularis thyroid hormone receptor alpha 0.0009 0.0069 0.0069
Trichomonas vaginalis importin beta-1, putative 0.0021 0.0509 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0009 0.0069 0.0069
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.1255 0.1255
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0009 0.0069 0.0069
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0101 0.3504 0.3504
Echinococcus granulosus ecdysone induced protein 78C 0.0009 0.0069 0.0069
Schistosoma mansoni ran 0.0019 0.0437 0.0437
Schistosoma mansoni hypothetical protein 0.0276 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0009 0.0069 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0069 0.0187
Echinococcus multilocularis importin subunit beta 1 0.0026 0.0691 0.0691
Echinococcus multilocularis ecdysone induced protein 78C 0.0009 0.0069 0.0069
Brugia malayi steroid hormone receptor 0.0009 0.0069 0.0187
Schistosoma mansoni RAR-like nuclear receptor 0.0009 0.0069 0.0069
Entamoeba histolytica hypothetical protein 0.0021 0.0509 0.1464
Schistosoma mansoni hypothetical protein 0.0082 0.2796 0.2796
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0069 0.0069
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0069 0.0187
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.1255 0.1255
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0009 0.0069 0.0069
Echinococcus multilocularis geminin 0.0152 0.5383 0.5383
Loa Loa (eye worm) transcription factor SMAD2 0.0107 0.3712 0.3712
Brugia malayi Importin beta-1 subunit 0.0026 0.0691 0.1861
Echinococcus granulosus GTP binding nuclear protein Ran 0.0019 0.0437 0.0437
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0069 0.0187
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0009 0.0069 0.0069
Brugia malayi Nuclear hormone receptor-like 1 0.0009 0.0069 0.0187
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0009 0.0069 0.0069
Brugia malayi bZIP transcription factor family protein 0.0101 0.3504 0.9438
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0041 0.1255 0.1255
Brugia malayi nuclear receptor NHR-88 0.0009 0.0069 0.0187
Loa Loa (eye worm) MH2 domain-containing protein 0.0107 0.3712 0.3712

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0015 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0044 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference

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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