Detailed information for compound 423161

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 243.268 | Formula: C11H13N7
  • H donors: 3 H acceptors: 4 LogP: 0.91 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C(Cc1nc[nH]c1)CNc1ncnc2c1nc[nH]2
  • InChi: 1S/C11H13N7/c1(2-8-4-12-5-14-8)3-13-10-9-11(16-6-15-9)18-7-17-10/h4-7H,1-3H2,(H,12,14)(H2,13,15,16,17,18)
  • InChiKey: SFRIXAXFEKPVBF-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi Histone deacetylase 1 0.0343 0.3726 0.8201
Trypanosoma cruzi histone deacetylase, putative 0.0162 0.1658 0.3649
Echinococcus multilocularis histone deacetylase 6 0.0414 0.4544 0.4544
Loa Loa (eye worm) histone deacetylase 3 0.0343 0.3726 0.8201
Trypanosoma brucei histone deacetylase 3 0.0414 0.4544 1
Schistosoma mansoni histone deacetylase 4 5 0.0414 0.4544 0.9699
Trypanosoma cruzi histone deacetylase, putative 0.0414 0.4544 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0343 0.3726 0.8201
Brugia malayi Histone deacetylase family protein 0.0414 0.4544 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0343 0.3726 0.8201
Trypanosoma brucei histone deacetylase 4 0.0414 0.4544 1
Toxoplasma gondii histone deacetylase HDAC1 0.0414 0.4544 1
Plasmodium vivax histone deacetylase, putative 0.0162 0.1658 0.3649
Leishmania major histone deacetylase, putative 0.0343 0.3726 0.8201
Brugia malayi histone deacetylase 1 (HD1) 0.0343 0.3726 0.8201
Loa Loa (eye worm) hypothetical protein 0.0343 0.3726 0.8201
Trypanosoma cruzi histone deacetylase, putative 0.0162 0.1658 0.3649
Trypanosoma brucei histone deacetylase 1 0.0343 0.3726 0.8201
Plasmodium vivax histone deacetylase 2, putative 0.0414 0.4544 1
Schistosoma mansoni histone deacetylase hda2 0.0427 0.4685 1
Loa Loa (eye worm) histone deacetylase 0.0414 0.4544 1
Plasmodium vivax histone deacetylase 1, putative 0.0343 0.3726 0.8201
Echinococcus granulosus histone deacetylase 7 0.0414 0.4544 0.9699
Trypanosoma cruzi histone deacetylase, putative 0.0414 0.4544 1
Brugia malayi histone deacetylase 3 (HD3) 0.0343 0.3726 0.8201
Echinococcus granulosus histone deacetylase 6 0.0414 0.4544 0.9699
Plasmodium vivax histone deacetylase, putative 0.0414 0.4544 1
Loa Loa (eye worm) hypothetical protein 0.0264 0.2822 0.6211
Trichomonas vaginalis histone deacetylase, putative 0.0343 0.3726 1
Echinococcus multilocularis histone deacetylase 3 0.0343 0.3726 0.3726
Brugia malayi Histone deacetylase family protein 0.0414 0.4544 1
Trichomonas vaginalis histone deacetylase, putative 0.0343 0.3726 1
Echinococcus granulosus histone deacetylase 6 0.0427 0.4685 1
Loa Loa (eye worm) histone deacetylase 1 0.0343 0.3726 0.8201
Plasmodium falciparum histone deacetylase 2 0.0414 0.4544 1
Trichomonas vaginalis histone deacetylase, putative 0.0343 0.3726 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.1658 0.3649
Echinococcus multilocularis histone deacetylase 8 0.0162 0.1658 0.1658
Schistosoma mansoni histone deacetylase 0.0343 0.3726 0.7954
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0343 0.3726 1
Loa Loa (eye worm) histone deacetylase 7A 0.0414 0.4544 1
Brugia malayi histone deacetylase 11 0.0162 0.1658 0.3649
Plasmodium falciparum histone deacetylase 1 0.0343 0.3726 0.5352
Trichomonas vaginalis histone deacetylase, putative 0.0343 0.3726 1
Schistosoma mansoni histone deacetylase hda2 0.0162 0.1658 0.3539
Echinococcus granulosus histone deacetylase 0.0414 0.4544 0.9699
Echinococcus multilocularis histone deacetylase 0.0414 0.4544 0.4544
Schistosoma mansoni histone deacetylase 1 2 3 0.0162 0.1658 0.3539
Echinococcus multilocularis histone deacetylase 1 0.0343 0.3726 0.3726
Loa Loa (eye worm) histone deacetylase 11 0.0162 0.1658 0.3649
Giardia lamblia Histone deacetylase 0.0343 0.3726 1
Entamoeba histolytica histone deacetylase, putative 0.0343 0.3726 1
Echinococcus granulosus histone deacetylase 6 0.0414 0.4544 0.9699
Trypanosoma brucei histone deacetylase, putative 0.0414 0.4544 1
Schistosoma mansoni histone deacetylase 0.0343 0.3726 0.7954
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0261 0.2785 0.6129
Toxoplasma gondii histone deacetylase HDAC2 0.0343 0.3726 0.7167
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0343 0.3726 1
Plasmodium falciparum histone deacetylase, putative 0.0414 0.4544 1
Toxoplasma gondii cell-cycle-associated protein kinase, putative 0.0244 0.2588 0.3223
Echinococcus multilocularis histone deacetylase 7 0.0414 0.4544 0.4544
Trypanosoma brucei histone deacetylase 2 0.0162 0.1658 0.3649
Echinococcus granulosus histone deacetylase 1 0.0343 0.3726 0.7954
Schistosoma mansoni histone deacetylase 4 5 0.0414 0.4544 0.9699
Echinococcus granulosus histone deacetylase 3 0.0343 0.3726 0.7954
Trypanosoma cruzi histone deacetylase, putative 0.0414 0.4544 1
Loa Loa (eye worm) hypothetical protein 0.0252 0.2681 0.5901
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0343 0.3726 1
Leishmania major histone deacetylase, putative 0.0343 0.3726 0.8201
Echinococcus granulosus histone deacetylase 8 0.0162 0.1658 0.3539
Leishmania major histone deacetylase, putative 0.0414 0.4544 1
Trichomonas vaginalis histone deacetylase, putative 0.0343 0.3726 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0162 0.1658 0.5
Leishmania major histone deacetylase, putative 0.0414 0.4544 1
Echinococcus multilocularis histone deacetylase 6 0.0414 0.4544 0.4544
Toxoplasma gondii histone deacetylase HDAC3 0.0343 0.3726 0.7167
Trichomonas vaginalis histone deacetylase, putative 0.0343 0.3726 1
Echinococcus multilocularis histone deacetylase 6 0.0427 0.4685 0.4685

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 54.8 uM Inhibition of human recombinant PRMT1 by TRF assay ChEMBL. 17432842
IC50 (binding) = 54.8 uM Inhibition of human recombinant PRMT1 by TRF assay ChEMBL. 17432842
Inhibition (binding) = 34.9 % Inhibition of Aspergillus nidulans RmtA at 2 uM by TRF assay ChEMBL. 17432842
Inhibition (binding) = 34.9 % Inhibition of Aspergillus nidulans RmtA at 2 uM by TRF assay ChEMBL. 17432842
Inhibition (binding) = 64.68 % Inhibition of Aspergillus nidulans RmtA at 10 uM by TRF assay ChEMBL. 17432842
Inhibition (binding) = 64.68 % Inhibition of Aspergillus nidulans RmtA at 10 uM by TRF assay ChEMBL. 17432842

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

1 literature reference was collected for this gene.

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