Detailed information for compound 1282403

Basic information

Technical information
  • TDR Targets ID: 1282403
  • Name: N-[2-(4-methoxyphenyl)ethyl]-4-methylaniline
  • MW: 241.328 | Formula: C16H19NO
  • H donors: 1 H acceptors: 0 LogP: 4.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CCNc1ccc(cc1)C
  • InChi: 1S/C16H19NO/c1-13-3-7-15(8-4-13)17-12-11-14-5-9-16(18-2)10-6-14/h3-10,17H,11-12H2,1-2H3
  • InChiKey: ZRRBAZPTYVNIAS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(4-methoxyphenyl)ethyl]-4-methyl-aniline
  • 2-(4-methoxyphenyl)ethyl-(4-methylphenyl)amine
  • BAS 02984724
  • [2-(4-Methoxy-phenyl)-ethyl]-p-tolyl-amine
  • ARONIS023042
  • ZINC00054650
  • TimTec1_002558
  • Oprea1_316208
  • MLS000526077
  • Oprea1_117924
  • SBB000815
  • SMR000116551

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0179 0.0289 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.1933 0.1693
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.1933 0.1933
Echinococcus granulosus MAP kinase activated protein kinase 2 0.4043 1 1
Onchocerca volvulus 0.0179 0.0289 0.5
Echinococcus granulosus geminin 0.0205 0.0353 0.0353
Echinococcus granulosus CDC7 cell division cycle 7 0.0179 0.0289 0.0289
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.4043 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.0353 0.0066
Giardia lamblia Kinase, CDC7 0.0179 0.0289 0.5
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.4043 1 1
Echinococcus multilocularis geminin 0.0205 0.0353 0.0353
Echinococcus granulosus microtubule associated protein 2 0.0833 0.1933 0.1933
Schistosoma mansoni serine/threonine protein kinase 0.4043 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.0353 0.0066
Trichomonas vaginalis CMGC family protein kinase 0.0179 0.0289 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0179 0.0289 0.5
Echinococcus multilocularis CDC7 cell division cycle 7 0.0179 0.0289 0.0289
Trichomonas vaginalis CMGC family protein kinase 0.0179 0.0289 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 7.0795 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 8.1995 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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