Detailed information for compound 797765

Basic information

Technical information
  • TDR Targets ID: 797765
  • Name: N6,N6-dimethyl-N4,N4-di(phenyl)-1,3,5-triazin e-2,4,6-triamine
  • MW: 306.365 | Formula: C17H18N6
  • H donors: 1 H acceptors: 3 LogP: 3.65 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(nc(n1)N(C)C)N(c1ccccc1)c1ccccc1
  • InChi: 1S/C17H18N6/c1-22(2)16-19-15(18)20-17(21-16)23(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3,(H2,18,19,20,21)
  • InChiKey: RXWHSQPUNDULPX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4-amino-6-dimethylamino-s-triazin-2-yl)-di(phenyl)amine
  • ZINC00105023
  • MLS000115841
  • SMR000092853
  • A2996/0126253
  • ChemDiv2_002599

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.064 0.3092 0.3092
Echinococcus granulosus serotonin transporter 0.0173 0.0681 0.0612
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0098 0.0098
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0173 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.0173 0.0681 0.0681
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1253 0.6253 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0073 0.0073
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0073 0.0073
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0073 0.0073
Loa Loa (eye worm) serotonin transporter b 0.0173 0.0681 0.0681
Leishmania major C-8 sterol isomerase-like protein 0.1253 0.6253 0.5
Loa Loa (eye worm) norepinephrine transporter 0.0173 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.1253 0.6253 0.6253
Echinococcus multilocularis vesicular acetylcholine transporter 0.1979 1 1
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.1979 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0073 0.0073
Loa Loa (eye worm) hypothetical protein 0.0173 0.0681 0.0681
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0098 0.0098
Echinococcus multilocularis serotonin transporter 0.0173 0.0681 0.0612
Loa Loa (eye worm) solute carrier family 6 member 4 0.0173 0.0681 0.0681
Brugia malayi ERG2 and Sigma1 receptor like protein 0.1253 0.6253 0.6253
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0073 0.0073
Schistosoma mansoni sodium/chloride dependent transporter 0.0173 0.0681 0.0681
Echinococcus granulosus vesicular acetylcholine transporter 0.1979 1 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.006 0.0098 0.0098
Schistosoma mansoni vesicular acetylcholine transporter 0.1979 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0173 0.0681 0.0681
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.1979 1 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0173 0.0681 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.1253 0.6253 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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