Detailed information for compound 203975

Basic information

Technical information
  • TDR Targets ID: 203975
  • Name: 6,6-dimethyl-1-(3-phenylpropyl)-1,3,5-triazin e-2,4-diamine
  • MW: 259.35 | Formula: C14H21N5
  • H donors: 2 H acceptors: 0 LogP: 1.12 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC1=NC(N(C(=N1)N)CCCc1ccccc1)(C)C
  • InChi: 1S/C14H21N5/c1-14(2)18-12(15)17-13(16)19(14)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H4,15,16,17,18)
  • InChiKey: LGTCEMHLJHTOGU-UHFFFAOYSA-N  

Network

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Synonyms

  • [4-amino-6,6-dimethyl-1-(3-phenylpropyl)-s-triazin-2-yl]amine

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
Trichomonas vaginalis glucosylceramidase, putative 0.0183 0.2874 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.006 0.0536 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0126 0.1796 0.1027
Onchocerca volvulus Glucosylceramidase homolog 0.012 0.1673 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0033 0.0014 0.005
Trichomonas vaginalis glucosylceramidase, putative 0.0183 0.2874 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0033 0.0014 0.005
Echinococcus multilocularis muscleblind protein 0.0106 0.1401 0.1401
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0189 0.2997 0.0601
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0033 0.0014 0.005
Trypanosoma brucei beta lactamase 0.0177 0.2776 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0183 0.2874 1
Echinococcus multilocularis muscleblind protein 1 0.0106 0.1401 0.1401
Trichomonas vaginalis glucosylceramidase, putative 0.0183 0.2874 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0183 0.2874 1
Trichomonas vaginalis glucosylceramidase, putative 0.0183 0.2874 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0536 0.1865
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0177 0.2776 0.5
Echinococcus multilocularis geminin 0.0228 0.3751 0.3751
Schistosoma mansoni hypothetical protein 0.0228 0.3751 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0183 0.2874 1
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.037 0.6453 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0014 0.005
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.037 0.6453 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.006 0.0536 0.5
Loa Loa (eye worm) hypothetical protein 0.0106 0.1401 0.4877
Echinococcus granulosus muscleblind protein 0.0106 0.1401 0.3736
Echinococcus granulosus geminin 0.0228 0.3751 1
Brugia malayi Muscleblind-like protein 0.0106 0.1401 0.4877
Schistosoma mansoni hypothetical protein 0.0228 0.3751 1
Trichomonas vaginalis glucosylceramidase, putative 0.0126 0.1796 0.1027
Loa Loa (eye worm) hypothetical protein 0.0106 0.1401 0.4877
Trichomonas vaginalis glucosylceramidase, putative 0.0183 0.2874 1

Activities

Activity type Activity value Assay description Source Reference
Log 1/C (binding) = 7.2 Inhibition of dihydrofolate reductase (DHFR) from E. coli. ChEMBL. 3882967

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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