Detailed information for compound 1582816

Basic information

Technical information
  • TDR Targets ID: 1582816
  • Name: N'-(2,3-dimethylphenyl)-6,6-dimethyl-3H-1,3,5 -triazine-2,4-diamine
  • MW: 245.323 | Formula: C13H19N5
  • H donors: 3 H acceptors: 0 LogP: 1.31 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC1=NC(NC(=N1)Nc1cccc(c1C)C)(C)C
  • InChi: 1S/C13H19N5/c1-8-6-5-7-10(9(8)2)15-12-16-11(14)17-13(3,4)18-12/h5-7H,1-4H3,(H4,14,15,16,17,18)
  • InChiKey: RLCCKONBYMJOPX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (6-amino-4,4-dimethyl-1H-s-triazin-2-yl)-(2,3-dimethylphenyl)amine
  • BAS 05210820
  • N*2*-(2,3-Dimethyl-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
  • MLS000072834
  • ZINC00203685
  • SMR000013204
  • EU-0014285

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
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
Mycobacterium tuberculosis 1,4-alpha-glucan branching enzyme GlgB (glycogen branching enzyme) 0.0062 0.0335 0.0762
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.0335 1
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.0335 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0156 0.029
Entamoeba histolytica beta/alpha-amylase precursor, putative 0.0062 0.0335 0.0762
Schistosoma mansoni alpha-amylase 0.0261 0.2503 0.6933
Mycobacterium ulcerans trehalose synthase TreS 0.0261 0.2503 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0347 0.0903
Trichomonas vaginalis amylase, putative 0.0062 0.0335 1
Trypanosoma brucei DNA polymerase IV, putative 0.0046 0.0156 0.3167
Leishmania major DNA polymerase kappa, putative 0.0046 0.0156 0.029
Echinococcus multilocularis trehalose 6 phosphate hydrolase 0.0062 0.0335 0.0312
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0156 0.3167
Entamoeba histolytica alpha-amylase family protein 0.0062 0.0335 0.0762
Echinococcus multilocularis SAM and MBT domain containing protein 0.0056 0.0262 0.0239
Loa Loa (eye worm) hypothetical protein 0.0077 0.0492 0.1311
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.0335 1
Schistosoma mansoni alpha-amylase 0.0261 0.2503 0.6933
Schistosoma mansoni hypothetical protein 0.0062 0.0335 0.087
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.0335 1
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0261 0.2503 1
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.0335 1
Schistosoma mansoni hypothetical protein 0.0338 0.3353 0.931
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0156 0.3167
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0335 1
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.0335 1
Entamoeba histolytica alpha-amylase family protein 0.0062 0.0335 0.0762
Mycobacterium ulcerans trehalose synthase TreS 0.0062 0.0335 0.0762
Trichomonas vaginalis amylase, putative 0.0062 0.0335 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0262 0.0668
Schistosoma mansoni alpha-amylase 0.0261 0.2503 0.6933
Mycobacterium tuberculosis Probable glucanase GlgE 0.0062 0.0335 0.0762
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 0.0492 1
Entamoeba histolytica alpha-amylase family protein 0.0062 0.0335 0.0762
Trypanosoma brucei DNA polymerase IV, putative 0.0046 0.0156 0.3167
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0056 0.0262 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0156 0.3167
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.0335 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0063 0.0347 0.0324
Schistosoma mansoni starch branching enzyme II 0.0062 0.0335 0.087
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0063 0.0347 0.0903
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0023 0.0475
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0063 0.0347 0.1303
Loa Loa (eye worm) mbt repeat family protein 0.0056 0.0262 0.0668
Echinococcus multilocularis histone acetyltransferase MYST2 0.0063 0.0347 0.0324
Schistosoma mansoni hypothetical protein 0.0361 0.36 1
Trypanosoma brucei DNA polymerase eta, putative 0.0077 0.0492 1
Echinococcus multilocularis dna polymerase eta 0.0077 0.0492 0.047
Echinococcus granulosus trehalose 6 phosphate hydrolase 0.0062 0.0335 0.087
Plasmodium vivax importin-beta 2, putative 0.0034 0.0023 0.5
Toxoplasma gondii Alpha-amylase AMY3, putative 0.0062 0.0335 1
Echinococcus multilocularis alpha glucosidase 0.0261 0.2503 0.2486
Loa Loa (eye worm) alpha amylase 0.0261 0.2503 0.6933
Echinococcus multilocularis snurportin 1 0.0361 0.36 0.3585
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.0335 1
Echinococcus granulosus dna polymerase kappa 0.0046 0.0156 0.037
Echinococcus granulosus histone acetyltransferase MYST2 0.0063 0.0347 0.0903
Echinococcus multilocularis polycomb protein SCMH1 0.0056 0.0262 0.0239
Schistosoma mansoni sex comb on midleg homolog 0.0056 0.0262 0.0668
Entamoeba histolytica hypothetical protein 0.0062 0.0335 0.0762
Leishmania major DNA polymerase eta, putative 0.0077 0.0492 1
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0261 0.2503 0.5
Mycobacterium ulcerans glycogen branching protein 0.0062 0.0335 0.0762
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.0335 1
Toxoplasma gondii alpha amylase, catalytic domain-containing protein 0.0062 0.0335 1
Toxoplasma gondii 1,4-alpha-glucan-branching enzyme 0.0062 0.0335 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0156 0.029
Trichomonas vaginalis amylase, putative 0.0062 0.0335 1
Plasmodium falciparum importin beta, putative 0.0034 0.0023 0.5
Schistosoma mansoni DNA polymerase eta 0.0077 0.0492 0.1311
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0156 0.3167
Mycobacterium ulcerans maltooligosyltrehalose synthase TreY 0.0062 0.0335 0.0762
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0156 0.029
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0046 0.0156 0.037
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0156 0.3167
Trypanosoma brucei DNA polymerase IV, putative 0.0046 0.0156 0.3167
Echinococcus multilocularis glucan (1,4 alpha), branching enzyme 1 0.0062 0.0335 0.0312
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0045 0.0146 0.3933
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0023 0.0475
Entamoeba histolytica alpha-amylase, putative 0.0062 0.0335 0.0762
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0219 0.2052 0.2033
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0361 0.36 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0335 0.087
Giardia lamblia 1,4-alpha-glucan branching enzyme 0.0062 0.0335 1
Onchocerca volvulus 0.0056 0.0262 0.5
Echinococcus granulosus snurportin 1 0.0361 0.36 1
Echinococcus granulosus alpha glucosidase 0.0261 0.2503 0.6933
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0156 0.3167
Entamoeba histolytica alpha-amylase, putative 0.0062 0.0335 0.0762
Brugia malayi 1,4-alpha-glucan branching enzyme 0.0062 0.0335 0.1255
Brugia malayi mbt repeat family protein 0.0056 0.0262 0.0964
Mycobacterium tuberculosis Maltooligosyltrehalose trehalohydrolase TreZ 0.0062 0.0335 0.0762
Chlamydia trachomatis glycogen hydrolase 0.0062 0.0335 0.5
Loa Loa (eye worm) MBCTL1 0.0063 0.0347 0.0903
Mycobacterium tuberculosis Trehalose synthase TreS 0.0261 0.2503 1
Toxoplasma gondii glycosyltransferase 0.0062 0.0335 1
Mycobacterium tuberculosis Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas 0.0261 0.2503 1
Mycobacterium ulcerans maltooligosyltrehalose synthase TreX 0.0062 0.0335 0.0762
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.0335 1
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.0062 0.0335 0.0762
Echinococcus granulosus polycomb protein SCMH1 0.0056 0.0262 0.0668
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.0492 0.189
Echinococcus granulosus dna polymerase eta 0.0077 0.0492 0.1311
Entamoeba histolytica alpha-amylase family protein 0.0062 0.0335 0.0762
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0156 0.3167
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0156 0.3167
Schistosoma mansoni terminal deoxycytidyl transferase 0.0046 0.0156 0.037
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.0335 1
Echinococcus multilocularis dna polymerase kappa 0.0046 0.0156 0.0133
Chlamydia trachomatis 1,4-alpha-glucan branching enzyme 0.0062 0.0335 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0156 0.029
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0046 0.0156 0.037
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0219 0.2052 0.5672
Loa Loa (eye worm) alpha amylase 0.0261 0.2503 0.6933
Brugia malayi mbt repeat family protein 0.0056 0.0262 0.0964
Mycobacterium ulcerans glycosidase 0.0062 0.0335 0.0762
Schistosoma mansoni myelin transcription factor 1 myt1 0.0063 0.0347 0.0903
Schistosoma mansoni sex comb on midleg homolog 0.0056 0.0262 0.0668
Schistosoma mansoni alpha-amylase 0.0261 0.2503 0.6933
Mycobacterium ulcerans maltooligosyltrehalose trehalohydrolase, TreZ 0.0062 0.0335 0.0762
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.0335 1
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.0062 0.0335 0.0762
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0156 0.3167
Schistosoma mansoni alpha-amylase 0.0261 0.2503 0.6933
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0261 0.2503 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0046 0.0156 0.037
Brugia malayi ImpB/MucB/SamB family protein 0.0046 0.0156 0.0534
Echinococcus granulosus glucan 14 alpha branching enzyme 1 0.0062 0.0335 0.087
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0046 0.0156 0.0133
Mycobacterium tuberculosis Maltooligosyltrehalose synthase TreY 0.0062 0.0335 0.0762
Trichomonas vaginalis starch branching enzyme II, putative 0.0062 0.0335 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0056 0.0262 0.0668
Echinococcus granulosus SAM and MBT domain containing protein 0.0056 0.0262 0.0668
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0156 0.3167
Trypanosoma brucei unspecified product 0.0046 0.0156 0.3167
Trichomonas vaginalis alpha-amylase, putative 0.0062 0.0335 1
Brugia malayi RNA, U transporter 1 0.0096 0.0705 0.2749
Entamoeba histolytica oligo-1,6-glucosidase, putative 0.0261 0.2503 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0046 0.0156 0.029
Trichomonas vaginalis amylase, putative 0.0062 0.0335 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 14.575 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 14.7157 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) 25.1189 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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