Detailed information for compound 1041803

Basic information

Technical information
  • TDR Targets ID: 1041803
  • Name: 1-(4-methoxyphenyl)-2-phenylethanone
  • MW: 226.27 | Formula: C15H14O2
  • H donors: 0 H acceptors: 1 LogP: 3.17 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)Cc1ccccc1
  • InChi: 1S/C15H14O2/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
  • InChiKey: PLALKSRAHVYFOH-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(4-methoxyphenyl)-2-phenyl-ethanone
  • 1023-17-2
  • EU-0084511
  • A1082/0050823
  • ghl.PD_Mitscher_leg0.608
  • NSC26658
  • IDI1_008299
  • IFLab1_000080

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
Echinococcus granulosus chromobox protein 1 0.0067 0.0861 0.445
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0096 0.0969
Brugia malayi Heterochromatin protein 1 0.0067 0.0861 0.0861
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0144 0.3068 0.2808
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0861 1
Trypanosoma cruzi Emopamil binding protein, putative 0.0144 0.3068 0.2808
Entamoeba histolytica hypothetical protein 0.0037 0 0.5
Entamoeba histolytica hypothetical protein 0.0037 0 0.5
Schistosoma mansoni chromobox protein 0.0067 0.0861 0.445
Mycobacterium ulcerans thymidylate synthase 0.0105 0.1934 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0148 0.3157 0.5
Echinococcus granulosus thymidylate synthase 0.0105 0.1934 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0105 0.1934 1
Echinococcus granulosus dihydrofolate reductase 0.0043 0.0157 0.0813
Echinococcus multilocularis chromobox protein 1 0.0067 0.0861 0.445
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0148 0.3157 0.5
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0861 1
Brugia malayi chromobox protein homolog 3 0.0038 0.0014 0.0014
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0105 0.1934 1
Schistosoma mansoni dihydrofolate reductase 0.0043 0.0157 0.0813
Entamoeba histolytica hypothetical protein 0.0037 0 0.5
Onchocerca volvulus 0.0105 0.1934 0.6285
Schistosoma mansoni chromobox protein 0.0067 0.0861 0.445
Brugia malayi Dihydrofolate reductase 0.0043 0.0157 0.0157
Leishmania major C-8 sterol isomerase-like protein 0.0387 1 1
Loa Loa (eye worm) heterochromatin protein 1 0.0067 0.0861 0.0848
Echinococcus multilocularis dihydrofolate reductase 0.0043 0.0157 0.0813
Brugia malayi thymidylate synthase 0.0105 0.1934 0.1934
Loa Loa (eye worm) dihydrofolate reductase 0.0043 0.0157 0.0143
Loa Loa (eye worm) thymidylate synthase 0.0105 0.1934 0.1922
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0361 0.41
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0387 1 1
Echinococcus granulosus chromobox protein 1 0.0067 0.0861 0.445
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0105 0.1934 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0148 0.3157 0.0128
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0096 0.0969
Mycobacterium tuberculosis Hypothetical protein 0.005 0.0361 0.1148
Echinococcus multilocularis thymidylate synthase 0.0105 0.1934 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0096 0.0268
Brugia malayi hypothetical protein 0.005 0.0361 0.0361
Chlamydia trachomatis dihydrofolate reductase 0.0043 0.0157 0.5
Loa Loa (eye worm) hypothetical protein 0.0198 0.459 0.4582
Trypanosoma cruzi Emopamil binding protein, putative 0.0144 0.3068 0.2808
Echinococcus multilocularis chromobox protein 1 0.0067 0.0861 0.445
Brugia malayi dihydrofolate reductase family protein 0.0043 0.0157 0.0157
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0144 0.3068 0.2808
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0148 0.3157 0.0128
Onchocerca volvulus 0.0144 0.3068 1
Entamoeba histolytica hypothetical protein 0.0037 0 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.0387 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0148 0.3157 0.29
Loa Loa (eye worm) hypothetical protein 0.0387 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0148 0.3157 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 5 ug/ml DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro ChEMBL. No reference
IC50 > 50 ug/ml DNDI: Cytotoxicity against L929 mouse fibroblasts, CYTO-SP, 24 hour ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei gambiense
Trypanosoma brucei ChEMBL23

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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