Detailed information for compound 1482433

Basic information

Technical information
  • TDR Targets ID: 1482433
  • Name: 2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl ]acetamide
  • MW: 301.312 | Formula: C17H16FNO3
  • H donors: 1 H acceptors: 2 LogP: 2.52 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1ccc(cc1)F)COc1ccc(cc1)C(=O)C
  • InChi: 1S/C17H16FNO3/c1-12(20)14-4-8-16(9-5-14)22-11-17(21)19-10-13-2-6-15(18)7-3-13/h2-9H,10-11H2,1H3,(H,19,21)
  • InChiKey: MHLWGEYQHCZIDD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-acetylphenoxy)-N-(4-fluorobenzyl)acetamide
  • 2-(4-ethanoylphenoxy)-N-[(4-fluorophenyl)methyl]ethanamide
  • MLS000772185
  • ZINC03504241
  • SMR000376747
  • T5400445

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
Leishmania major alpha tubulin 0.0068 0.3316 0.1175
Trypanosoma brucei alpha tubulin 0.0068 0.3316 0.1175
Echinococcus multilocularis tubulin alpha chain 0.0068 0.3316 0.1175
Leishmania major alpha tubulin 0.0068 0.3316 0.1175
Schistosoma mansoni tubulin subunit beta 0.0136 1 1
Echinococcus granulosus tubulin beta 4A class IVa 0.0136 1 1
Schistosoma mansoni alpha tubulin 0.0068 0.3316 0.1175
Schistosoma mansoni tubulin subunit beta 0.0136 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0068 0.3316 0.1175
Schistosoma mansoni alpha tubulin 0.0068 0.3316 0.1175
Loa Loa (eye worm) tubulin beta-2A chain 0.0136 1 1
Leishmania major beta tubulin 0.0136 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0068 0.3316 0.1175
Leishmania major beta tubulin 0.0136 1 1
Toxoplasma gondii alpha tubulin TUBA1 0.0068 0.3316 0.1175
Brugia malayi Tubulin alpha-2 chain 0.0068 0.3316 0.1175
Leishmania major beta tubulin 0.0136 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0136 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0043 0.0771 0.0771
Trypanosoma brucei beta tubulin 0.0136 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0068 0.3316 0.1175
Brugia malayi Tubulin alpha chain 0.0068 0.3316 0.1175
Echinococcus multilocularis Tubulin beta 2C chain 0.0136 1 1
Echinococcus granulosus tubulin subunit TubB 0.0068 0.3316 0.1175
Trypanosoma cruzi alpha tubulin, putative 0.0068 0.3316 0.1175
Leishmania major beta tubulin 0.0136 1 1
Leishmania major beta tubulin 0.0136 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0068 0.3316 0.1175
Echinococcus multilocularis hypothetical protein 0.0068 0.3316 0.1175
Plasmodium vivax tubulin beta chain, putative 0.0136 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0068 0.3316 0.3316
Leishmania major beta tubulin 0.0136 1 1
Entamoeba histolytica tubulin alpha-1 chain 0.0068 0.3316 0.1175
Echinococcus multilocularis tubulin alpha 3 chain 0.0068 0.3316 0.1175
Leishmania major alpha tubulin 0.0068 0.3316 0.1175
Entamoeba histolytica tubulin alpha chain, putative 0.0068 0.3316 0.1175
Leishmania major beta tubulin 0.0136 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0068 0.3316 0.1175
Leishmania major alpha tubulin 0.0068 0.3316 0.1175
Echinococcus granulosus Tubulin beta 2C chain 0.0136 1 1
Leishmania major beta tubulin 0.0136 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0043 0.0771 0.0771
Brugia malayi alpha-tubulin 0.0068 0.3316 0.1175
Plasmodium vivax tubulin alpha chain, putative 0.0068 0.3316 0.1175
Trichomonas vaginalis tubulin gamma chain, putative 0.0136 1 1
Loa Loa (eye worm) BEN-1 protein 0.0136 1 1
Leishmania major beta tubulin 0.0136 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0068 0.3316 0.3316
Trichomonas vaginalis tubulin, putative 0.0136 1 1
Plasmodium falciparum alpha tubulin 2 0.0068 0.3316 0.1175
Echinococcus multilocularis tubulin beta 1 chain 0.0136 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0136 1 1
Leishmania major beta tubulin 0.0136 1 1
Toxoplasma gondii beta tubulin 0.0136 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0136 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0136 1 1
Loa Loa (eye worm) tubulin beta chain 0.0136 1 1
Loa Loa (eye worm) BEN-1 protein 0.0136 1 1
Leishmania major alpha tubulin 0.0068 0.3316 0.1175
Trichomonas vaginalis tubulin beta chain, putative 0.0068 0.3316 0.3316
Trypanosoma cruzi beta tubulin, putative 0.0136 1 1
Loa Loa (eye worm) alpha-tubulin 0.0068 0.3316 0.3316
Echinococcus multilocularis Tubulin alpha 1 chain 0.0068 0.3316 0.1175
Leishmania major alpha tubulin 0.0068 0.3316 0.1175
Trichomonas vaginalis tubulin beta chain, putative 0.0136 1 1
Trypanosoma brucei beta tubulin 0.0136 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0068 0.3316 0.1175
Leishmania major beta tubulin 0.0136 1 1
Entamoeba histolytica tubulin family protein 0.0136 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0068 0.3316 0.1175
Echinococcus multilocularis tubulin alpha 1C chain 0.0068 0.3316 0.1175
Echinococcus multilocularis beta tubulin 0.0136 1 1
Leishmania major beta tubulin 0.0136 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0136 1 1
Echinococcus multilocularis tubulin alpha chain 0.0068 0.3316 0.1175
Trichomonas vaginalis tubulin epsilon chain, putative 0.0068 0.3316 0.3316
Echinococcus multilocularis tubulin alpha chain 0.0068 0.3316 0.1175
Echinococcus granulosus Tubulin beta 2C chain 0.0136 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0068 0.3316 0.1175
Trypanosoma brucei alpha tubulin 0.0068 0.3316 0.1175
Echinococcus granulosus beta tubulin 0.0136 1 1
Brugia malayi beta-tubulin, identical 0.0136 1 1
Leishmania major alpha tubulin 0.0068 0.3316 0.1175
Echinococcus granulosus tubulin alpha chain 0.0068 0.3316 0.1175
Echinococcus granulosus tubulin alpha chain 0.0068 0.3316 0.1175
Giardia lamblia Beta tubulin 0.0136 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0136 1 1
Leishmania major alpha tubulin 0.0068 0.3316 0.1175
Trichomonas vaginalis tubulin alpha chain, putative 0.0059 0.2425 0.2425
Echinococcus multilocularis tubulin subunit beta 0.0136 1 1
Schistosoma mansoni tubulin subunit beta 0.0136 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0136 1 1
Leishmania major alpha tubulin 0.0068 0.3316 0.1175
Giardia lamblia Alpha-tubulin 0.0068 0.3316 0.1175
Schistosoma mansoni tubulin subunit alpha 0.0068 0.3316 0.1175
Giardia lamblia Alpha-tubulin 0.0068 0.3316 0.1175
Leishmania major beta tubulin 0.0136 1 1
Echinococcus granulosus tubulin alpha chain 0.0068 0.3316 0.1175
Trypanosoma brucei beta tubulin 0.0136 1 1
Trypanosoma brucei alpha tubulin 0.0068 0.3316 0.1175
Echinococcus multilocularis tubulin alpha chain 0.0068 0.3316 0.1175
Toxoplasma gondii alpha-tubulin I, putative 0.0068 0.3316 0.1175
Brugia malayi Tubulin alpha-2 chain 0.0068 0.3316 0.1175
Schistosoma mansoni tubulin subunit beta 0.0136 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0059 0.2425 0.2425
Toxoplasma gondii beta-1 tubulin, putative 0.0136 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0068 0.3316 0.3316
Schistosoma mansoni alpha tubulin 0.0068 0.3316 0.1175
Trichomonas vaginalis tubulin beta chain, putative 0.0068 0.3316 0.3316
Trichomonas vaginalis tubulin beta chain, putative 0.0068 0.3316 0.3316
Leishmania major beta tubulin 0.0136 1 1
Brugia malayi tubulin alpha chain - mouse 0.0068 0.3316 0.1175
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0043 0.0771 0.0771
Echinococcus granulosus beta tubulin 0.0136 1 1
Leishmania major beta tubulin 0.0136 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0068 0.3316 0.1175
Plasmodium falciparum tubulin beta chain 0.0136 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0068 0.3316 0.3316
Echinococcus granulosus tubulin beta 1 chain 0.0136 1 1
Schistosoma mansoni tubulin subunit alpha 0.0068 0.3316 0.1175
Leishmania major alpha tubulin 0.0068 0.3316 0.1175
Leishmania major beta tubulin 0.0136 1 1
Trypanosoma brucei alpha tubulin 0.0068 0.3316 0.1175
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0136 1 1
Trypanosoma brucei beta tubulin 0.0136 1 1
Echinococcus granulosus tubulin alpha chain 0.0068 0.3316 0.1175
Brugia malayi tubulin alpha-2 chain 0.0068 0.3316 0.1175
Echinococcus multilocularis Tubulin alpha 1 chain 0.0068 0.3316 0.1175
Echinococcus multilocularis beta tubulin 0.0136 1 1
Toxoplasma gondii beta-tubulin, putative 0.0136 1 1
Loa Loa (eye worm) tubulin gamma chain 0.0059 0.2425 0.2425
Echinococcus multilocularis tubulin alpha chain 0.0068 0.3316 0.1175
Trichomonas vaginalis tubulin beta chain, putative 0.0068 0.3316 0.3316
Giardia lamblia Beta tubulin 0.0136 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0068 0.3316 0.1175
Echinococcus granulosus tubulin alpha chain 0.0068 0.3316 0.1175
Leishmania major beta tubulin 0.0136 1 1
Schistosoma mansoni tubulin subunit beta 0.0136 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0068 0.3316 0.1175
Schistosoma mansoni tubulin subunit alpha 0.0068 0.3316 0.1175
Loa Loa (eye worm) alpha-tubulin 0.0068 0.3316 0.3316
Trichomonas vaginalis tubulin beta chain, putative 0.0068 0.3316 0.3316
Plasmodium falciparum alpha tubulin 1 0.0068 0.3316 0.1175
Echinococcus granulosus tubulin alpha 1C chain 0.0068 0.3316 0.1175
Loa Loa (eye worm) beta-tubulin 0.0136 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0136 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0043 0.0771 0.0771
Giardia lamblia Beta tubulin 0.0136 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0136 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0068 0.3316 0.1175
Trichomonas vaginalis tubulin beta chain, putative 0.0068 0.3316 0.3316
Loa Loa (eye worm) tubulin beta-1 chain 0.0136 1 1
Entamoeba histolytica tubulin family protein 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.3316 0.3316
Loa Loa (eye worm) tubulin beta-4 chain 0.0136 1 1
Leishmania major beta tubulin 0.0136 1 1
Echinococcus multilocularis tubulin subunit TubB 0.0068 0.3316 0.1175
Leishmania major alpha tubulin 0.0068 0.3316 0.1175
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0068 0.3316 0.3316
Leishmania major alpha tubulin 0.0068 0.3316 0.1175
Trichomonas vaginalis tubulin alpha chain, putative 0.0136 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0059 0.2425 0.2425
Echinococcus granulosus tubulin subunit beta 0.0136 1 1
Schistosoma mansoni tubulin subunit beta 0.0136 1 1
Echinococcus granulosus alpha tubulin 0.0068 0.3316 0.1175
Loa Loa (eye worm) hypothetical protein 0.0043 0.0771 0.0771

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 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

Species name Source Reference Is orphan
Plasmodium falciparum 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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