Detailed information for compound 332496

Basic information

Technical information
  • TDR Targets ID: 332496
  • Name: (2R)-2-[4-(2-methylpropyl)phenyl]-N-phenylpro panamide
  • MW: 281.392 | Formula: C19H23NO
  • H donors: 1 H acceptors: 1 LogP: 4.86 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cc1ccc(cc1)[C@H](C(=O)Nc1ccccc1)C)C
  • InChi: 1S/C19H23NO/c1-14(2)13-16-9-11-17(12-10-16)15(3)19(21)20-18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,20,21)/t15-/m1/s1
  • InChiKey: UHKIXOMKDZNTLI-OAHLLOKOSA-N  

Network

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Synonyms

  • (2R)-2-(4-isobutylphenyl)-N-phenyl-propanamide
  • (2R)-2-(4-isobutylphenyl)-N-phenylpropanamide
  • (2R)-2-[4-(2-methylpropyl)phenyl]-N-phenyl-propanamide
  • (2R)-2-(4-isobutylphenyl)-N-phenyl-propionamide
  • ZINC00250026

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
Mycobacterium leprae Chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase). 0.1689 0.4863 1
Mycobacterium ulcerans chorismate synthase 0.3426 1 1
Echinococcus granulosus cdgsh iron sulfur domain containing protein 0.0237 0.0567 1
Plasmodium falciparum chorismate synthase 0.3426 1 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0591 0.1614 0.1404
Schistosoma mansoni hypothetical protein 0.0169 0.0365 0.5992
Toxoplasma gondii chorismate synthase, putative 0.3426 1 1
Onchocerca volvulus 0.0101 0.0163 0.5
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.033 0.0841 0.0611
Schistosoma mansoni CDGSH-type Zn finger-containing protein-like protein 0.0251 0.0609 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.055 0.1491 0.2699
Loa Loa (eye worm) hypothetical protein 0.0066 0.0062 0.103
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.033 0.0841 0.1291
Echinococcus multilocularis cdgsh iron sulfur domain containing protein 0.0237 0.0567 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0201 0.0461 0.5
Mycobacterium tuberculosis Probable chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase) 0.1689 0.4863 1
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0201 0.0461 0.0222
Schistosoma mansoni 3-dehydroquinate synthase 0.0128 0.0245 0.4021
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0314 0.0795 1
Echinococcus multilocularis geminin 0.0169 0.0365 0.6439
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.033 0.0841 0.0611
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0115 0.0204 0.3351
Echinococcus granulosus geminin 0.0169 0.0365 0.6439
Loa Loa (eye worm) hypothetical protein 0.0248 0.0598 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.0259 0.4328
Plasmodium vivax chorismate synthase 0.3426 1 0.5
Brugia malayi Uncharacterized hematopoietic stem/progenitor cells protein MDS029 0.0101 0.0163 0.2056
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0591 0.1614 0.1404
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0201 0.0461 0.5
Chlamydia trachomatis UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0201 0.0461 0.0222
Schistosoma mansoni hypothetical protein 0.0251 0.0609 1
Schistosoma mansoni hypothetical protein 0.0169 0.0365 0.5992
Loa Loa (eye worm) hypothetical protein 0.0101 0.0163 0.2734

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 9 % Inhibition of CXCL8-induced chemotaxis of human polymorphonuclear cells at 10e-8 M ChEMBL. 15974585
Inhibition (functional) = 9 % Inhibition of CXCL8-induced chemotaxis of human polymorphonuclear cells at 10e-8 M ChEMBL. 15974585
Inhibition (functional) = 30 % Inhibition of interleukin-8 induced chemotaxis of human polymorphonuclear cells at 100 nM ChEMBL. 15974585
Inhibition (functional) = 30 % Inhibition of interleukin-8 induced chemotaxis of human polymorphonuclear cells at 100 nM ChEMBL. 15974585
Inhibition (functional) = 63 % Inhibition of lipopolysaccharide-induced PGE-2 production at 10e-5 M ChEMBL. 15974585
Inhibition (functional) = 63 % Inhibition of lipopolysaccharide-induced PGE-2 production at 10e-5 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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