Detailed information for compound 1369620

Basic information

Technical information
  • TDR Targets ID: 1369620
  • Name: N'-(4-methoxyphenyl)-N,6-dimethyl-5-nitropyri midine-2,4-diamine
  • MW: 289.29 | Formula: C13H15N5O3
  • H donors: 2 H acceptors: 4 LogP: 3.15 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNc1nc(Nc2ccc(cc2)OC)c(c(n1)C)[N+](=O)[O-]
  • InChi: 1S/C13H15N5O3/c1-8-11(18(19)20)12(17-13(14-2)15-8)16-9-4-6-10(21-3)7-5-9/h4-7H,1-3H3,(H2,14,15,16,17)
  • InChiKey: ZISKTVUQMCJSJH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-(4-methoxyphenyl)-N,6-dimethyl-5-nitro-pyrimidine-2,4-diamine
  • (4-methoxyphenyl)-(6-methyl-2-methylamino-5-nitro-pyrimidin-4-yl)amine
  • MLS001000558
  • N~4~-(4-methoxyphenyl)-N~2~,6-dimethyl-5-nitro-2,4-pyrimidinediamine
  • SMR000496124
  • Oprea1_248316
  • ZINC03880400

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica dolichyl-di-phosphooligosaccharide-protein glycotransferase, putative 0.0094 0.729 0.7124
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1721 0.1721
Echinococcus granulosus dolichyl diphosphooligosaccharide protein 0.0094 0.729 0.729
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.9845 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.9845 1
Toxoplasma gondii dolichyl-diphosphooligosaccharide--protein glycosyltransferase 0.0094 0.729 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.9845 1
Trypanosoma brucei polo-like protein kinase 0.0114 0.9845 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0925 0.0939
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.9845 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.312 0.312
Loa Loa (eye worm) hypothetical protein 0.006 0.312 0.3169
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1721 0.1721
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.468 0.4754
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.9845 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.9845 0.5
Loa Loa (eye worm) dolichyl-di-phosphooligosaccharide-protein glycotransferase 0.0094 0.729 0.7405
Echinococcus multilocularis tar DNA binding protein 0.0076 0.5155 0.5155
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.9845 0.9845
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.9845 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.9845 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5155 0.5236
Schistosoma mansoni jumonji domain containing protein 0.0092 0.7041 0.7152
Brugia malayi Dolichyl-diphosphooligosaccharide--protein glycosyltransferase 48 kDasubunit precursor 0.0094 0.729 0.729
Entamoeba histolytica dolichyl-diphosphooligosaccharide-protein glycotransferase, putative 0.0094 0.729 0.7124
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.312 0.3169
Brugia malayi jmjC domain containing protein 0.0043 0.0925 0.0925
Loa Loa (eye worm) hypothetical protein 0.0041 0.0742 0.0754
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5155 0.5236
Plasmodium vivax dolichyl-diphosphooligosaccharide--protein glycosyltransferase, putative 0.0094 0.729 1
Trichomonas vaginalis dolichyl-diphosphooligosaccharide--protein glycosyltransferase, putative 0.0094 0.729 0.6447
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5155 0.5236
Giardia lamblia Kinase, PLK 0.0114 0.9845 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.9845 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.5155 0.5155
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0925 0.0939
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0925 0.0925
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.9845 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.9845 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5155 0.5236
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5155 0.5236
Loa Loa (eye worm) leucine Rich Repeat family protein 0.0039 0.0506 0.0514
Echinococcus multilocularis dolichyl diphosphooligosaccharide protein 0.0094 0.729 0.729
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.9845 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.9845 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.5155 0.5155
Loa Loa (eye worm) RNA binding protein 0.0076 0.5155 0.5236
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.9845 1
Schistosoma mansoni dolichyl-diphosphooligosaccharide-protein glycosyltransferase 0.0094 0.729 0.7405
Loa Loa (eye worm) hypothetical protein 0.006 0.314 0.3189
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0742 0.0742
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0925 0.0939
Plasmodium falciparum dolichyl-diphosphooligosaccharide--protein glycosyltransferase, putative 0.0094 0.729 1
Brugia malayi RNA binding protein 0.0076 0.5155 0.5155
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.9845 0.9845
Schistosoma mansoni hypothetical protein 0.0041 0.0742 0.0754
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.312 0.312
Brugia malayi TAR-binding protein 0.0076 0.5155 0.5155
Loa Loa (eye worm) TAR-binding protein 0.0076 0.5155 0.5236
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 1 1
Schistosoma mansoni kinase 0.0058 0.2842 0.2887
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.9845 0.9845
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0925 0.0925
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.5155 0.5236

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 11.9173 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 89.1251 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

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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