Detailed information for compound 659507

Basic information

Technical information
  • TDR Targets ID: 659507
  • Name: N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl ]pyrimidin-5-yl]phenyl]-2,2-dimethylpropanami de
  • MW: 430.542 | Formula: C26H30N4O2
  • H donors: 2 H acceptors: 4 LogP: 4.65 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(C)(C)C)Nc1ccc(cc1)c1cnc(nc1)c1ccc(cc1)NC(=O)C(C)(C)C
  • InChi: 1S/C26H30N4O2/c1-25(2,3)23(31)29-20-11-7-17(8-12-20)19-15-27-22(28-16-19)18-9-13-21(14-10-18)30-24(32)26(4,5)6/h7-16H,1-6H3,(H,29,31)(H,30,32)
  • InChiKey: UWJCNBVLHMBKJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-5-yl]phenyl]-2,2-dimethyl-propanamide
  • N-[4-[2-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-5-pyrimidinyl]phenyl]-2,2-dimethylpropanamide
  • 2,2-dimethyl-N-[4-[2-[4-(pivaloylamino)phenyl]pyrimidin-5-yl]phenyl]propionamide
  • ZINC00754778
  • Oprea1_055904
  • CBDivE_007177
  • Oprea1_755188
  • BAS 00239143
  • STK037878

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
Plasmodium falciparum LCCL domain-containing protein 0.002 0.02 0.037
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0598 0.0766
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0598 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.4553 0.8437
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.4553 0.8377
Loa Loa (eye worm) hypothetical protein 0.0024 0.0598 0.1108
Entamoeba histolytica aminopeptidase, putative 0.0073 0.5396 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.4553 0.4442
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0073 0.5396 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0598 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.4553 0.4442
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0073 0.5396 1
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0073 0.5396 1
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0073 0.5396 0.5
Loa Loa (eye worm) RNA binding protein 0.0064 0.4553 0.8437
Loa Loa (eye worm) doublecortin family protein 0.002 0.02 0.037
Schistosoma mansoni tar DNA-binding protein 0.0064 0.4553 0.4442
Schistosoma mansoni lipoxygenase 0.0119 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.02 0.037
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.02 0.037
Brugia malayi TAR-binding protein 0.0064 0.4553 0.8377
Echinococcus granulosus aspartyl aminopeptidase 0.0073 0.5396 0.5302
Schistosoma mansoni lipoxygenase 0.0083 0.6459 0.6387
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0073 0.5396 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0598 0.0766
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0598 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0598 1
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0073 0.5396 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0598 1
Brugia malayi RNA binding protein 0.0064 0.4553 0.8377
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0073 0.5396 1
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0073 0.5396 1
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0073 0.5396 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0119 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.02 0.037
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0598 0.0766
Schistosoma mansoni tar DNA-binding protein 0.0064 0.4553 0.4442
Loa Loa (eye worm) hypothetical protein 0.0024 0.0598 0.1108
Loa Loa (eye worm) aspartyl aminopeptidase 0.0073 0.5396 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0598 0.1108
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0073 0.5396 1
Onchocerca volvulus 0.0024 0.0598 1
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0073 0.5396 0.5302
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0598 0.1108
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0073 0.5396 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0598 1
Echinococcus multilocularis aspartyl aminopeptidase 0.0073 0.5396 0.5302
Echinococcus multilocularis tar DNA binding protein 0.0064 0.4553 0.4442
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0598 1
Loa Loa (eye worm) TAR-binding protein 0.0064 0.4553 0.8437
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0073 0.5396 1
Brugia malayi Aspartyl aminopeptidase 0.0073 0.5396 1
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0073 0.5396 0.5302
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0073 0.5396 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0064 0.4553 0.4442
Echinococcus granulosus tar DNA binding protein 0.0064 0.4553 0.4442
Mycobacterium ulcerans hypothetical protein 0.0024 0.0598 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.5396 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0598 0.1108
Loa Loa (eye worm) hypothetical protein 0.0073 0.5396 1

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.
 
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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