Detailed information for compound 159285

Basic information

Technical information
  • TDR Targets ID: 159285
  • Name: N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5 -triazin-1-yl)phenyl]-N-methylpropanamide
  • MW: 392.497 | Formula: C22H28N6O
  • H donors: 2 H acceptors: 1 LogP: 1.55 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(Cc1ccccc1)C)CCc1ccc(cc1)N1C(=NC(=NC1(C)C)N)N
  • InChi: 1S/C22H28N6O/c1-22(2)26-20(23)25-21(24)28(22)18-12-9-16(10-13-18)11-14-19(29)27(3)15-17-7-5-4-6-8-17/h4-10,12-13H,11,14-15H2,1-3H3,(H4,23,24,25,26)
  • InChiKey: QNUFPLAEFPQXHH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-methyl-propanamide
  • 3-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]-N-methyl-N-(phenylmethyl)propanamide
  • N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenyl]-N-methyl-propionamide
  • 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-methyl-N-(phenylmethyl)propanamide
  • N-(benzyl)-3-[4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenyl]-N-methyl-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
Trypanosoma brucei hypothetical protein, conserved 0.054 0.2542 0.5
Echinococcus multilocularis tumor protein p63 0.1413 0.9192 0.8916
Chlamydia trachomatis SWIB complex protein 0.1519 1 0.5
Onchocerca volvulus 0.054 0.2542 0.2542
Schistosoma mansoni TRABID protein (C64 family) 0.054 0.2542 0.2542
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.054 0.2542 0.5
Loa Loa (eye worm) hypothetical protein 0.054 0.2542 0.2542
Leishmania major hypothetical protein, conserved 0.054 0.2542 0.5
Chlamydia trachomatis DNA topoisomerase I 0.1519 1 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.054 0.2542 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.054 0.2542 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.054 0.2542 0.5
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.1519 1 1
Onchocerca volvulus 0.054 0.2542 0.2542
Leishmania major hypothetical protein, conserved 0.054 0.2542 0.5
Loa Loa (eye worm) hypothetical protein 0.054 0.2542 0.2542
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.1519 1 0.5
Schistosoma mansoni RNA binding protein 0.054 0.2542 0.2542
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.054 0.2542 0.2542
Loa Loa (eye worm) hypothetical protein 0.054 0.2542 0.2542
Trypanosoma cruzi hypothetical protein, conserved 0.054 0.2542 0.5
Loa Loa (eye worm) hypothetical protein 0.054 0.2542 0.2542
Schistosoma mansoni fusion 0.054 0.2542 0.2542
Trypanosoma cruzi WLM domain containing protein, putative 0.054 0.2542 0.5
Echinococcus granulosus Upstream activation factor subunit UAF30 0.1519 1 1
Schistosoma mansoni hypothetical protein 0.1519 1 1
Brugia malayi SWIB/MDM2 domain containing protein 0.1519 1 1
Onchocerca volvulus 0.054 0.2542 0.2542
Echinococcus multilocularis SWI:SNF matrix associated 0.1519 1 1
Schistosoma mansoni hypothetical protein 0.1519 1 1
Leishmania major hypothetical protein, conserved 0.054 0.2542 0.5
Trypanosoma brucei hypothetical protein, conserved 0.054 0.2542 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.054 0.2542 0.5
Loa Loa (eye worm) brahma associated protein 0.1519 1 1
Schistosoma mansoni hypothetical protein 0.054 0.2542 0.2542
Brugia malayi brahma associated protein 60 kDa 0.1519 1 1
Schistosoma mansoni hypothetical protein 0.1519 1 1
Leishmania major hypothetical protein, conserved 0.054 0.2542 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.054 0.2542 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.054 0.2542 0.5
Echinococcus granulosus tumor protein p63 0.1413 0.9192 0.8916
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.1519 1 1
Schistosoma mansoni brg-1 associated factor 0.1519 1 1
Schistosoma mansoni zinc finger protein 0.054 0.2542 0.2542
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.054 0.2542 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1519 1 0.5
Onchocerca volvulus 0.054 0.2542 0.2542
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.054 0.2542 0.5
Leishmania major hypothetical protein, conserved 0.054 0.2542 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.1519 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.1519 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.1519 1 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.1519 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.1519 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0266 0.045 0.5
Plasmodium vivax hypothetical protein, conserved 0.1519 1 0.5
Loa Loa (eye worm) hypothetical protein 0.054 0.2542 0.2542
Echinococcus granulosus SWI:SNF matrix associated 0.1519 1 1
Onchocerca volvulus 0.1519 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.1519 1 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.054 0.2542 0.5

Activities

Activity type Activity value Assay description Source Reference
Log 1/C (binding) = 7.31 Inhibition of dihydrofolate reductase from rat Walker 256 leukaemia tumors ChEMBL. 1895302

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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