Detailed information for compound 351368

Basic information

Technical information
  • TDR Targets ID: 351368
  • Name: 2-(3-chlorophenoxy)-N-[(4-methylphenyl)methyl ]propanamide
  • MW: 303.783 | Formula: C17H18ClNO2
  • H donors: 1 H acceptors: 1 LogP: 4.13 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(Oc1cccc(c1)Cl)C)NCc1ccc(cc1)C
  • InChi: 1S/C17H18ClNO2/c1-12-6-8-14(9-7-12)11-19-17(20)13(2)21-16-5-3-4-15(18)10-16/h3-10,13H,11H2,1-2H3,(H,19,20)
  • InChiKey: FUBWWKPGZKXROB-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(3-chlorophenoxy)-N-(p-tolylmethyl)propanamide
  • 2-(3-chlorophenoxy)-N-(4-methylbenzyl)propionamide
  • STK134096

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 microtubule-associated protein tau 0.06 1 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0182 0.2929 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0017 0.0148 0.0489
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0025 0.028 0.0473
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0182 0.2929 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0025 0.028 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0025 0.028 0.0938
Onchocerca volvulus 0.0025 0.028 0.5
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0025 0.028 0.0956
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0182 0.2929 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0182 0.2929 1
Schistosoma mansoni fk506 binding protein 0.0025 0.028 0.028
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0025 0.028 1
Schistosoma mansoni hypothetical protein 0.0147 0.2348 0.2348
Loa Loa (eye worm) transcription factor SMAD2 0.0104 0.1612 0.5495
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0182 0.2929 1
Schistosoma mansoni hypothetical protein 0.0025 0.028 0.028
Entamoeba histolytica recQ family DNA helicase 0.0009 0.0006 0.0019
Echinococcus multilocularis 0.0025 0.028 0.0133
Schistosoma mansoni hypothetical protein 0.0147 0.2348 0.2348
Brugia malayi MH2 domain containing protein 0.0104 0.1612 0.5264
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type (slyD) 0.0025 0.028 0.0938
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0025 0.028 0.0473
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0025 0.028 0.5
Loa Loa (eye worm) RecQ helicase 0.0017 0.0148 0.0489
Trichomonas vaginalis immunophilin, putative 0.0182 0.2929 1
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.028 0.0473
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0182 0.2929 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0157 0.2506 0.2393
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0182 0.2929 1
Leishmania major fk506-binding protein 1-like protein 0.0182 0.2929 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0009 0.0006 0.0006
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0182 0.2929 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0104 0.1612 0.5495
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0182 0.2929 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.028 0.0938
Loa Loa (eye worm) FKBP5 protein 0.0182 0.2929 1
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0025 0.028 0.0956
Echinococcus multilocularis geminin 0.0147 0.2348 0.2232
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0025 0.028 0.0473
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0182 0.2929 1
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0025 0.028 0.0938
Echinococcus multilocularis microtubule associated protein 2 0.06 1 1
Trichomonas vaginalis fk506 binding protein, putative 0.0025 0.028 0.0473
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0025 0.028 0.0473
Loa Loa (eye worm) hypothetical protein 0.0009 0.0006 0.00000000041093
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0182 0.2929 1
Schistosoma mansoni DNA helicase recq5 0.0017 0.0148 0.0148
Trichomonas vaginalis fk506-binding protein, putative 0.0025 0.028 0.0473
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0009 0.0006 0.0019
Echinococcus multilocularis fk506 binding protein 0.0182 0.2929 0.2822
Loa Loa (eye worm) hypothetical protein 0.0017 0.0148 0.0489
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0182 0.2929 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0182 0.2929 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0025 0.028 0.0938
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0025 0.028 0.0938
Schistosoma mansoni immunophilin 0.0182 0.2929 0.2929
Trichomonas vaginalis fk506-binding protein, putative 0.0182 0.2929 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0025 0.028 0.0473
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.028 0.0473
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0025 0.028 0.0473
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0182 0.2929 0.2822
Leishmania major peptidylprolyl isomerase-like protein 0.0182 0.2929 1
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0025 0.028 0.0473
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0025 0.028 0.0473
Loa Loa (eye worm) hypothetical protein 0.0157 0.2506 0.8554
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0025 0.028 0.0473
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0025 0.028 0.0938
Onchocerca volvulus 0.0025 0.028 0.5
Echinococcus granulosus FK506 binding protein 2 0.0025 0.028 0.0133
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0025 0.028 0.0938
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0148 0.5305
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0182 0.2929 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0157 0.2506 0.2393
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0017 0.0148 0.0489
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0182 0.2929 0.2822
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0025 0.028 0.5
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0025 0.028 0.0938
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0025 0.028 1
Giardia lamblia Hypothetical protein 0.0025 0.028 0.0473
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0182 0.2929 0.2929
Schistosoma mansoni immunophilin 0.0182 0.2929 0.2929
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0025 0.028 0.0473
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0025 0.028 0.0473
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0006 0.0202
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0182 0.2929 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0025 0.028 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0025 0.028 0.0938
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.028 0.0473
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0025 0.028 0.0473
Echinococcus granulosus geminin 0.0147 0.2348 0.2232
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0182 0.2929 1
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0025 0.028 0.5
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0025 0.028 0.0133
Schistosoma mansoni DNA helicase recq1 0.0017 0.0148 0.0148
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0025 0.028 0.0473
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0148 0.5305
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0182 0.2929 0.2822
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0182 0.2929 1
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0025 0.028 0.0133
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0025 0.028 0.0956
Schistosoma mansoni immunophilin 0.0157 0.2506 0.2506
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0025 0.028 0.5
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0025 0.028 0.5
Trichomonas vaginalis fk506-binding protein, putative 0.0025 0.028 0.0473
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0182 0.2929 1
Entamoeba histolytica recQ family helicase, putative 0.0017 0.0148 0.0507
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0182 0.2929 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of 15-hLO ChEMBL. 16480270
IC50 (binding) > 100 uM Inhibition of 15-hLO ChEMBL. 16480270
IC50 (binding) > 200 uM Inhibition of 12-hLO ChEMBL. 16480270
IC50 (binding) > 200 uM Inhibition of 12-hLO ChEMBL. 16480270

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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