Detailed information for compound 690293

Basic information

Technical information
  • TDR Targets ID: 690293
  • Name: 9-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)-8- oxo-7H-purine-6-carboxamide
  • MW: 405.407 | Formula: C21H19N5O4
  • H donors: 2 H acceptors: 5 LogP: 2.87 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)n1c(O)nc2c1nc(nc2C(=O)N)c1ccc(cc1)C
  • InChi: 1S/C21H19N5O4/c1-11-4-6-12(7-5-11)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)13-8-9-14(29-2)15(10-13)30-3/h4-10H,1-3H3,(H2,22,27)(H,24,28)
  • InChiKey: UXHYVUUMCZXQDX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 9-(3,4-dimethoxyphenyl)-8-keto-2-(4-methylphenyl)-7H-purine-6-carboxamide
  • ZINC04518786

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
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.2448 0.8592
Trichomonas vaginalis chromobox protein, putative 0.0068 0.5326 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.3567 0.5
Brugia malayi MAP kinase sur-1 0.005 0.3567 0.3479
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.3567 0.6696
Trichomonas vaginalis CMGC family protein kinase 0.005 0.3567 0.5546
Giardia lamblia Kinase, CMGC MAPK 0.005 0.3567 0.5
Onchocerca volvulus 0.0026 0.1312 0.2854
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0747 0.1402
Onchocerca volvulus 0.0026 0.1312 0.2854
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.3567 0.3567
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.3567 0.5
Echinococcus granulosus RUN 0.002 0.0747 0.1402
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.3567 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 1 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0747 0.1402
Echinococcus granulosus lamin 0.0026 0.1312 0.2463
Trypanosoma brucei protein kinase, putative 0.005 0.3567 0.5
Echinococcus multilocularis chromobox protein 1 0.0068 0.5326 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.2448 0.2714
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.3567 0.6696
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.1312 0.1193
Schistosoma mansoni lamin 0.0026 0.1312 0.1234
Trichomonas vaginalis chromobox protein, putative 0.0068 0.5326 1
Brugia malayi Heterochromatin protein 1 0.0068 0.5326 0.5263
Loa Loa (eye worm) transcription factor SMAD2 0.0116 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.2448 0.2714
Trichomonas vaginalis chromobox protein, putative 0.0041 0.2727 0.3419
Echinococcus multilocularis lamin 0.0026 0.1312 0.2463
Echinococcus granulosus mitogen activated protein kinase 0.005 0.3567 0.6696
Brugia malayi chromobox protein homolog 3 0.0038 0.2448 0.2345
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.2727 1
Echinococcus granulosus chromobox protein 1 0.0068 0.5326 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0057 0.4293 0.8059
Loa Loa (eye worm) hypothetical protein 0.0026 0.1265 0.1265
Echinococcus multilocularis musashi 0.0026 0.1312 0.2463
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0057 0.4293 0.8059
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.3567 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.1312 0.1312
Brugia malayi intermediate filament protein 0.0026 0.1312 0.1193
Loa Loa (eye worm) hypothetical protein 0.003 0.1655 0.1655
Schistosoma mansoni chromobox protein 0.0068 0.5326 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.2448 0.2448
Loa Loa (eye worm) hypothetical protein 0.0026 0.1312 0.1312
Loa Loa (eye worm) hypothetical protein 0.002 0.0747 0.0747
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.3567 0.5
Schistosoma mansoni lipoxygenase 0.0057 0.4293 0.7743
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.3567 0.5
Echinococcus multilocularis lamin dm0 0.0026 0.1312 0.2463
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0747 0.1402
Echinococcus granulosus lamin dm0 0.0026 0.1312 0.2463
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.3567 0.6696
Brugia malayi hypothetical protein 0.002 0.0747 0.062
Trichomonas vaginalis chromobox protein, putative 0.0041 0.2727 0.3419
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0747 0.1402
Schistosoma mansoni serine/threonine protein kinase 0.005 0.3567 0.6158
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0135 0.0135
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.3567 0.5
Loa Loa (eye worm) doublecortin family protein 0.002 0.0747 0.0747
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0747 0.5
Brugia malayi Doublecortin family protein 0.002 0.0747 0.062
Trichomonas vaginalis CMGC family protein kinase 0.005 0.3567 0.5546
Echinococcus multilocularis chromobox protein 1 0.0068 0.5326 1
Echinococcus granulosus intermediate filament protein 0.0026 0.1312 0.2463
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0747 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.5326 0.5326
Schistosoma mansoni intermediate filament proteins 0.0026 0.1312 0.1234
Schistosoma mansoni chromobox protein 0.0068 0.5326 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.3567 0.5546
Onchocerca volvulus 0.003 0.1655 0.4587
Loa Loa (eye worm) hypothetical protein 0.002 0.0747 0.0747
Brugia malayi hypothetical protein 0.002 0.0747 0.062
Echinococcus multilocularis RUN 0.002 0.0747 0.1402
Echinococcus granulosus chromobox protein 1 0.0068 0.5326 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.3567 0.5546
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.3567 0.5
Schistosoma mansoni lamin 0.0026 0.1312 0.1234
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0747 0.1402
Loa Loa (eye worm) intermediate filament protein 0.0026 0.1312 0.1312
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0747 0.1402

Activities

No activities found for this compound.

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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