Detailed information for compound 836109

Basic information

Technical information
  • TDR Targets ID: 836109
  • Name: N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethy l)-2-(4-propan-2-ylphenoxy)acetamide
  • MW: 397.895 | Formula: C23H24ClNO3
  • H donors: 0 H acceptors: 1 LogP: 5.26 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccc(cc1)OCC(=O)N(Cc1ccccc1Cl)Cc1ccco1)C
  • InChi: 1S/C23H24ClNO3/c1-17(2)18-9-11-20(12-10-18)28-16-23(26)25(15-21-7-5-13-27-21)14-19-6-3-4-8-22(19)24/h3-13,17H,14-16H2,1-2H3
  • InChiKey: FXYDDKGIYIKTHH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2-chlorophenyl)methyl]-N-(2-furylmethyl)-2-(4-isopropylphenoxy)acetamide
  • N-(2-chlorobenzyl)-N-(2-furylmethyl)-2-(4-isopropylphenoxy)acetamide
  • N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamide

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
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0769 0.4521 1
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.0769 0.4521 0.443
Loa Loa (eye worm) hypothetical protein 0.0041 0.0091 0.0202
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.4913 1
Echinococcus granulosus tumor protein p63 0.0408 0.2324 0.4728
Brugia malayi hypothetical protein 0.0336 0.1888 0.4173
Schistosoma mansoni hypothetical protein 0.004 0.0086 0.0168
Schistosoma mansoni NADH dehydrogenase subunit 1 0.0087 0.0368 0.0743
Onchocerca volvulus 0.0082 0.034 0.1438
Loa Loa (eye worm) hypothetical protein 0.0027 0.0003 0.0007
Brugia malayi NADH dehydrogenase subunit 1 0.0087 0.0368 0.0808
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.0441 0.0893
Echinococcus granulosus NADH dehydrogenase 0.0053 0.0164 0.0327
Echinococcus granulosus expressed conserved protein 0.0091 0.0396 0.0801
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0769 0.4521 1
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0095 0.0187
Schistosoma mansoni patched 1 0.0042 0.0095 0.0187
Loa Loa (eye worm) acyl carrier protein 0.0053 0.0164 0.0362
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0769 0.4521 1
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0053 0.0164 0.0362
Loa Loa (eye worm) hypothetical protein 0.0336 0.1888 0.4177
Schistosoma mansoni hypothetical protein 0.0053 0.0164 0.0327
Onchocerca volvulus 0.0053 0.0164 0.0684
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0207 0.0453
Plasmodium vivax acyl carrier protein, putative 0.0053 0.0164 0.5
Echinococcus granulosus single minded 2 0.0074 0.0293 0.059
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0769 0.4521 0.9201
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0207 0.0453
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0769 0.4521 1
Brugia malayi NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor 0.0769 0.4521 1
Mycobacterium tuberculosis Possible formate hydrogenlyase HycD (FHL) 0.0087 0.0368 0.0208
Loa Loa (eye worm) acyl carrier protein 0.0053 0.0164 0.0362
Schistosoma mansoni hypothetical protein 0.0041 0.0091 0.018
Mycobacterium ulcerans proteasome PrcA 0.1669 1 1
Echinococcus multilocularis tumor protein p63 0.0408 0.2324 0.4728
Schistosoma mansoni aryl hydrocarbon receptor 0.01 0.0451 0.0913
Brugia malayi NADH dehydrogenase subunit 1, identical 0.0087 0.0368 0.0808
Echinococcus multilocularis transfer RNA-Lys 0.0074 0.0293 0.059
Onchocerca volvulus 0.0053 0.0164 0.0684
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0095 0.021
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.0769 0.4521 1
Mycobacterium ulcerans formate hydrogenlyase HycD 0.0087 0.0368 0.0208
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0053 0.0164 0.5
Brugia malayi bHLH-PAS transcription factor 0.0074 0.0293 0.0641
Mycobacterium ulcerans membrane protein ComEA 0.0171 0.0884 0.0732
Loa Loa (eye worm) hypoxia-induced factor 1 0.031 0.173 0.3826
Echinococcus granulosus microtubule associated protein 2 0.0833 0.4913 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.034 0.0687
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0095 0.0187
Echinococcus granulosus AMP dependent ligase 0.0053 0.0164 0.0327
Loa Loa (eye worm) hypothetical protein 0.0097 0.0432 0.0956
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0432 0.0874
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial 0.0769 0.4521 1
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0053 0.0164 0.0355
Onchocerca volvulus 0.0087 0.0368 0.1556
Loa Loa (eye worm) hypothetical protein 0.006 0.0207 0.0459
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) 0.0322 0.1799 0.1662
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.4913 1
Echinococcus granulosus Niemann Pick C1 protein 0.0139 0.0686 0.1391
Brugia malayi Phosphopantetheine attachment site family protein 0.0053 0.0164 0.0355
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0053 0.0164 0.0684
Schistosoma mansoni hypothetical protein 0.004 0.0086 0.0168
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase subunit H 0.0322 0.1799 0.3753
Leishmania major NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0769 0.4521 1
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative 0.0769 0.4521 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0164 0.0362
Brugia malayi hypothetical protein 0.0087 0.0368 0.0808
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.0432 0.095
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.034 0.0687
Onchocerca volvulus 0.0074 0.0293 0.1235
Mycobacterium ulcerans putative regulatory protein 0.0074 0.0293 0.0131
Schistosoma mansoni acyl carrier protein 0.0053 0.0164 0.0327
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.0769 0.4521 0.9201
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0003 0.0007
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0205 0.041
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0432 0.0874
Loa Loa (eye worm) hypothetical protein 0.0082 0.034 0.0753
Mycobacterium tuberculosis Conserved hypothetical protein 0.0171 0.0884 0.0732
Brugia malayi AMP-binding enzyme family protein 0.0053 0.0164 0.0355
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0053 0.0164 0.0355
Onchocerca volvulus NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog 0.0412 0.2349 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0053 0.0164 0.5
Brugia malayi PAS domain containing protein 0.01 0.0451 0.0992
Schistosoma mansoni hypothetical protein 0.004 0.0086 0.0168
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.034 0.0687
Toxoplasma gondii type I fatty acid synthase, putative 0.0053 0.0164 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0091 0.0196
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.034 0.0747
Loa Loa (eye worm) NADH dehydrogenase subunit 1 0.0087 0.0368 0.0814
Echinococcus multilocularis NADH dehydrogenase 0.0053 0.0164 0.0327
Echinococcus granulosus acyl carrier protein mitochondrial 0.0053 0.0164 0.0327
Onchocerca volvulus 0.0053 0.0164 0.0684
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0207 0.0459
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F) 0.0769 0.4521 0.443
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0053 0.0164 0.0327
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0053 0.0164 0.0355
Onchocerca volvulus 0.0087 0.0368 0.1556
Loa Loa (eye worm) hypothetical protein 0.0042 0.0095 0.021
Onchocerca volvulus Fatty acid synthase homolog 0.0053 0.0164 0.0684
Schistosoma mansoni hypothetical protein 0.0322 0.1799 0.3657
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.0432 1
Onchocerca volvulus 0.006 0.0205 0.0859
Echinococcus multilocularis Niemann Pick C1 protein 0.0139 0.0686 0.1391
Brugia malayi CHE-14 protein 0.0042 0.0095 0.0203
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.1669 1 1
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.0769 0.4521 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0205 0.0452
Mycobacterium ulcerans NADH dehydrogenase subunit H 0.0322 0.1799 0.1662
Schistosoma mansoni single-minded 0.01 0.0451 0.0913
Plasmodium falciparum acyl carrier protein 0.0053 0.0164 0.5
Treponema pallidum nitrogen fixation protein (rnfC) 0.0171 0.0884 1
Echinococcus multilocularis protein dispatched 1 0.0048 0.0131 0.026
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0053 0.0164 0.5
Echinococcus multilocularis protein patched 0.0042 0.0095 0.0187
Loa Loa (eye worm) hypothetical protein 0.0051 0.0152 0.0336
Brugia malayi AMP-binding enzyme family protein 0.0053 0.0164 0.0355
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0003 0.0007
Echinococcus multilocularis expressed conserved protein 0.0091 0.0396 0.0801
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0164 0.0355
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0095 0.0187
Echinococcus multilocularis AMP dependent ligase 0.0053 0.0164 0.0327
Schistosoma mansoni hypothetical protein 0.004 0.0086 0.0168
Chlamydia trachomatis acyl carrier protein 0.0053 0.0164 0.5
Brugia malayi hypoxia-induced factor 1 0.031 0.173 0.3822
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0053 0.0164 0.0362
Toxoplasma gondii acyl carrier protein ACP 0.0053 0.0164 0.5
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.0769 0.4521 0.9201
Echinococcus granulosus NADH dehydrogenase subunit 1 0.0322 0.1799 0.3657

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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