Detailed information for compound 330192

Basic information

Technical information
  • TDR Targets ID: 330192
  • Name: (2R)-N-[(2R)-1-methoxypropan-2-yl]-2-[4-(2-me thylpropyl)phenyl]propanamide
  • MW: 277.402 | Formula: C17H27NO2
  • H donors: 1 H acceptors: 1 LogP: 3.58 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC[C@H](NC(=O)[C@@H](c1ccc(cc1)CC(C)C)C)C
  • InChi: 1S/C17H27NO2/c1-12(2)10-15-6-8-16(9-7-15)14(4)17(19)18-13(3)11-20-5/h6-9,12-14H,10-11H2,1-5H3,(H,18,19)/t13-,14-/m1/s1
  • InChiKey: LLEUPTKJYMXWNR-ZIAGYGMSSA-N  

Network

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Synonyms

  • (2R)-2-(4-isobutylphenyl)-N-[(1R)-2-methoxy-1-methyl-ethyl]propanamide
  • (2R)-2-(4-isobutylphenyl)-N-[(1R)-2-methoxy-1-methylethyl]propanamide
  • (2R)-2-(4-isobutylphenyl)-N-[(1R)-2-methoxy-1-methyl-ethyl]propionamide

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
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0066 0.1125
Echinococcus multilocularis expressed protein 0.0017 0.0171 0.0109
Toxoplasma gondii hypothetical protein 0.0017 0.0171 0.2921
Echinococcus granulosus expressed protein 0.0017 0.0171 0.2024
Brugia malayi Peptidase family M28 containing protein 0.0047 0.0586 1
Schistosoma mansoni nicalin (M28 family) 0.0047 0.0586 0.0825
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0712 0.976 1
Trypanosoma brucei PA domain containing protein, putative 0.0017 0.0171 0.1367
Trypanosoma cruzi glutaminyl cyclase, putative 0.0047 0.0586 1
Schistosoma mansoni mannosyl-oligosaccharidealpha-12-mannosidase-r el ated 0.0017 0.0171 0.0167
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0065 0.0826 1
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0047 0.0586 0.0537
Onchocerca volvulus Fxna peptidase homolog 0.0047 0.0586 1
Brugia malayi leucyl aminopeptidase 0.0047 0.0586 1
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0065 0.0826 1
Loa Loa (eye worm) PA domain-containing protein 0.0017 0.0171 0.0106
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0257 0.3677
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0466 0.6372 1
Onchocerca volvulus 0.0047 0.0586 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0586 1
Leishmania major glutaminyl cyclase, putative 0.0047 0.0586 1
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0257 0.3156
Schistosoma mansoni zinc finger protein 0.0017 0.0171 0.0167
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0047 0.0586 0.0537
Loa Loa (eye worm) leucyl aminopeptidase 0.0047 0.0586 0.0524
Loa Loa (eye worm) RecQ helicase 0.0024 0.0257 0.0193
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.0066 0.5
Echinococcus granulosus bloom syndrome protein 0.0024 0.0257 0.3677
Loa Loa (eye worm) hypothetical protein 0.0119 0.1572 0.1516
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0066 0.1125
Brugia malayi FXNA 0.0047 0.0586 1
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0047 0.0586 1
Schistosoma mansoni zinc finger protein 0.0017 0.0171 0.0167
Brugia malayi PA domain containing protein 0.0017 0.0171 0.2024
Echinococcus granulosus e3 ubiquitin protein ligase RNF13 0.0017 0.0171 0.2024
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0149 0.2544
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0047 0.0586 0.0825
Leishmania major hypothetical protein, conserved 0.0047 0.0586 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0189 0.0195
Schistosoma mansoni Fxna peptidase (M28 family) 0.0047 0.0586 0.0825
Echinococcus granulosus er degradation enhancing alpha mannosidase 0.0017 0.0171 0.2024
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0047 0.0586 1
Onchocerca volvulus Glutaminyl cyclase homolog 0.0047 0.0586 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0586 1
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0047 0.0586 0.0825
Toxoplasma gondii peptidase, M28 family protein 0.0047 0.0586 1
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0257 0.0197
Loa Loa (eye worm) hypothetical protein 0.0664 0.9105 0.9099
Trypanosoma cruzi glutaminyl cyclase, putative 0.0047 0.0586 1
Echinococcus multilocularis e3 ubiquitin protein ligase RNF13 0.0017 0.0171 0.0109
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0106 1
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0047 0.0586 1
Toxoplasma gondii hypothetical protein 0.0047 0.0586 1
Onchocerca volvulus Fxna peptidase homolog 0.0047 0.0586 1
Echinococcus multilocularis er degradation enhancing alpha mannosidase er degradation enhancer mannosidase alpha 0.0017 0.0171 0.0109
Loa Loa (eye worm) hypothetical protein 0.0484 0.6612 0.659
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0586 1
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0047 0.0586 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0586 0.0524
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0257 0.3156
Trypanosoma brucei glutaminyl cyclase, putative 0.0047 0.0586 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0586 0.0524
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0047 0.0586 0.0537
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0152 0.5
Onchocerca volvulus Fxna peptidase homolog 0.0047 0.0586 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0586 0.0524
Schistosoma mansoni protease 0.0017 0.0171 0.0167
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0218 1
Brugia malayi nicalin 0.0047 0.0586 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 25 % Inhibition of CXCL8-induced chemotaxis of human polymorphonuclear cells at 10e-8 M ChEMBL. 15974585
Inhibition (functional) = 25 % Inhibition of CXCL8-induced chemotaxis of human polymorphonuclear cells at 10e-8 M ChEMBL. 15974585

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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