Detailed information for compound 1349655

Basic information

Technical information
  • TDR Targets ID: 1349655
  • Name: N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-5, 7-dimethylimidazo[3,2-a]pyrimidin-3-amine
  • MW: 372.463 | Formula: C23H24N4O
  • H donors: 1 H acceptors: 2 LogP: 6.15 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1nc2n(c1Nc1c(C)cccc1C)c(C)cc(n2)C
  • InChi: 1S/C23H24N4O/c1-14-7-6-8-15(2)20(14)25-22-21(18-9-11-19(28-5)12-10-18)26-23-24-16(3)13-17(4)27(22)23/h6-13,25H,1-5H3
  • InChiKey: ADTGVCJCNYUAHB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-5,7-dimethyl-imidazo[3,2-a]pyrimidin-3-amine
  • N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-5,7-dimethyl-3-imidazo[3,2-a]pyrimidinamine
  • (2,6-dimethylphenyl)-[2-(4-methoxyphenyl)-5,7-dimethyl-imidazo[3,2-a]pyrimidin-3-yl]amine
  • C325-0150
  • NCGC00107933-01
  • STK228565
  • ZINC04156837

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi 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 hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0815 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2785 0.2272
Loa Loa (eye worm) hypothetical protein 0.0085 0.3319 0.2844
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Trypanosoma brucei glucosidase, putative 0.0044 0.0815 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0815 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2785 0.2757
Schistosoma mansoni alpha glucosidase 0.0044 0.0815 0.0195
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2785 0.2757
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0815 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2785 0.2272
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0815 0.5
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0815 0.0017
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0815 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1807 0.1807
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0815 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1807 0.1224
Brugia malayi RNA binding protein 0.0076 0.2785 0.2785
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2521 0.1872
Brugia malayi Bromodomain containing protein 0.0046 0.097 0.097
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2785 0.2757
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0815 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2785 0.2159
Schistosoma mansoni alpha-glucosidase 0.0169 0.8356 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0815 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0815 0.0815
Loa Loa (eye worm) hypothetical protein 0.0049 0.1147 0.0517
Loa Loa (eye worm) hypothetical protein 0.0046 0.0975 0.0333
Brugia malayi TAR-binding protein 0.0076 0.2785 0.2785
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2785 0.2757
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0815 0.5
Brugia malayi Bromodomain containing protein 0.0091 0.3629 0.3629
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0815 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.1285 0.0665
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0815 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.8356 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2785 0.2757
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0815 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0815 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0815 0.0161
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0815 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 1 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.278 0.2751
Onchocerca volvulus 0.0114 0.5023 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2785 0.2785
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1807 0.1224
Echinococcus granulosus tar DNA binding protein 0.0076 0.2785 0.2159
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1807 0.1807
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0815 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.2785 0.2272
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0664 0.0664
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2521 0.1872
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0815 0.0017

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 14.1254 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 (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 50.1187 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) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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