Detailed information for compound 70356

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 164.165 | Formula: C7H8N4O
  • H donors: 1 H acceptors: 4 LogP: 1 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ncn2c1cnnc2O
  • InChi: 1S/C7H8N4O/c1-2-5-6-3-9-10-7(12)11(6)4-8-5/h3-4H,2H2,1H3,(H,10,12)
  • InChiKey: RGTMPODFCVGLDV-UHFFFAOYSA-N  


Substructure search Similarity search

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
Schistosoma mansoni histone deacetylase hda2 0.0047 0.0056 0.2402
Plasmodium vivax histone deacetylase, putative 0.0012 0.0004 0.085
Trypanosoma brucei histone deacetylase 2 0.0012 0.0004 0.001
Echinococcus multilocularis histone deacetylase 3 0.0012 0.0004 0.017
Echinococcus multilocularis histone deacetylase 0.0041 0.0047 0.2001
Brugia malayi histone deacetylase 11 0.0012 0.0004 0.0004
Plasmodium falciparum histone deacetylase 2 0.0041 0.0047 1
Chlamydia trachomatis DNA ligase 0.001 0 0.5
Loa Loa (eye worm) histone deacetylase 11 0.0012 0.0004 0.0004
Echinococcus granulosus histone deacetylase 8 0.0012 0.0004 0.017
Toxoplasma gondii histone deacetylase HDAC3 0.0012 0.0004 0.085
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0052 0.0052
Echinococcus multilocularis histone deacetylase 7 0.0041 0.0047 0.2001
Echinococcus granulosus histone deacetylase 1 0.0012 0.0004 0.017
Plasmodium vivax histone deacetylase 1, putative 0.0012 0.0004 0.085
Trypanosoma brucei histone deacetylase, putative 0.0041 0.0047 0.0119
Trypanosoma cruzi histone deacetylase, putative 0.0041 0.0047 0.0119
Leishmania major histone deacetylase, putative 0.0041 0.0047 0.0109
Loa Loa (eye worm) hypothetical protein 0.0035 0.0038 0.0038
Onchocerca volvulus 0.0029 0.0029 0.0881
Echinococcus multilocularis histone deacetylase 6 0.0041 0.0047 0.2001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0052 0.2249
Onchocerca volvulus Histone deacetylase 10 homolog 0.0012 0.0004 0.012
Loa Loa (eye worm) histone deacetylase 1 0.0012 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.6668 1 1
Echinococcus multilocularis histone deacetylase 8 0.0012 0.0004 0.017
Brugia malayi Histone deacetylase family protein 0.0041 0.0047 0.0047
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0029 0.1253
Entamoeba histolytica histone deacetylase, putative 0.0012 0.0004 1
Echinococcus granulosus histone deacetylase 0.0041 0.0047 0.2001
Echinococcus multilocularis histone deacetylase 6 0.0047 0.0056 0.2402
Plasmodium vivax histone deacetylase 2, putative 0.0041 0.0047 1
Trypanosoma brucei histone deacetylase 1 0.0012 0.0004 0.001
Brugia malayi Histone deacetylase family protein 0.0041 0.0047 0.0047
Onchocerca volvulus 0.023 0.0331 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0012 0.0004 0.012
Plasmodium vivax histone deacetylase, putative 0.0041 0.0047 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.0289 0.0289
Echinococcus granulosus histone deacetylase 6 0.0041 0.0047 0.2001
Giardia lamblia Histone deacetylase 0.0012 0.0004 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0012 0.0004 0.017
Loa Loa (eye worm) hypothetical protein 0.0029 0.0029 0.0029
Trichomonas vaginalis histone deacetylase, putative 0.0012 0.0004 0.012
Echinococcus multilocularis histone deacetylase 1 0.0012 0.0004 0.017
Trypanosoma cruzi histone deacetylase, putative 0.0041 0.0047 0.0119
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0052 0.2249
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0 0.5
Echinococcus multilocularis geminin 0.0164 0.0233 1
Echinococcus granulosus geminin 0.0164 0.0233 1
Trypanosoma cruzi histone deacetylase, putative 0.0041 0.0047 0.0119
Toxoplasma gondii histone deacetylase HDAC5 0.0012 0.0004 0.085
Treponema pallidum DNA ligase (lig) 0.001 0 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0029 0.1253
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0052 0.2249
Toxoplasma gondii histone deacetylase HDAC2 0.0012 0.0004 0.085
Schistosoma mansoni histone deacetylase 0.0012 0.0004 0.017
Trypanosoma cruzi histone deacetylase 1, putative 0.0012 0.0004 0.001
Trichomonas vaginalis histone deacetylase, putative 0.0012 0.0004 0.012
Trichomonas vaginalis histone deacetylase, putative 0.0012 0.0004 0.012
Echinococcus multilocularis histone deacetylase 6 0.0041 0.0047 0.2001
Brugia malayi Pre-SET motif family protein 0.0029 0.0029 0.0029
Echinococcus granulosus histone deacetylase 6 0.0047 0.0056 0.2402
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.262 0.392 1
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.262 0.392 1
Trichomonas vaginalis histone deacetylase, putative 0.0012 0.0004 0.012
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0052 0.2249
Schistosoma mansoni hypothetical protein 0.0164 0.0233 1
Trypanosoma cruzi histone deacetylase, putative 0.0012 0.0004 0.001
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0029 0.1253
Schistosoma mansoni histone deacetylase 4 5 0.0041 0.0047 0.2001
Echinococcus granulosus histone deacetylase 3 0.0012 0.0004 0.017
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0004
Brugia malayi Pre-SET motif family protein 0.0202 0.0289 0.0289
Trypanosoma cruzi histone deacetylase 1, putative 0.0012 0.0004 0.001
Plasmodium falciparum histone deacetylase, putative 0.0041 0.0047 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0029 0.1253
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0052 0.2249
Schistosoma mansoni histone deacetylase 4 5 0.0041 0.0047 0.2001
Loa Loa (eye worm) histone deacetylase 7A 0.0041 0.0047 0.0047
Loa Loa (eye worm) histone deacetylase 0.0041 0.0047 0.0047
Brugia malayi histone deacetylase 3 (HD3) 0.0012 0.0004 0.0004
Toxoplasma gondii histone deacetylase HDAC1 0.0041 0.0047 1
Trichomonas vaginalis histone deacetylase, putative 0.0012 0.0004 0.012
Schistosoma mansoni hypothetical protein 0.0164 0.0233 1
Toxoplasma gondii histone deacetylase HDAC4 0.0012 0.0004 0.085
Brugia malayi histone deacetylase 1 (HD1) 0.0012 0.0004 0.0004
Leishmania major histone deacetylase, putative 0.0041 0.0047 0.0109
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0028 0.1185
Trichomonas vaginalis histone deacetylase, putative 0.0012 0.0004 0.012
Trypanosoma brucei histone deacetylase 3 0.0041 0.0047 0.0119
Plasmodium falciparum histone deacetylase 1 0.0012 0.0004 0.085
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0052 0.0052
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.262 0.392 1
Leishmania major malonyl-coa decarboxylase-like protein 0.262 0.392 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0029 0.1253
Trichomonas vaginalis set domain proteins, putative 0.023 0.0331 1
Echinococcus granulosus histone deacetylase 6 0.0041 0.0047 0.2001
Plasmodium vivax SET domain protein, putative 0.0029 0.0029 0.6265
Trypanosoma brucei histone deacetylase 4 0.0041 0.0047 0.0119
Loa Loa (eye worm) histone deacetylase 3 0.0012 0.0004 0.0004
Trypanosoma cruzi histone deacetylase, putative 0.0012 0.0004 0.001
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0029 0.1253
Schistosoma mansoni histone deacetylase 0.0012 0.0004 0.017
Schistosoma mansoni histone deacetylase hda2 0.0012 0.0004 0.017
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.001 0 0.5
Brugia malayi Histone deacetylase 1 0.0012 0.0004 0.0004
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.6668 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0028 0.0028
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0052 0.2249
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0029 0.1253
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0012 0.0004 0.012
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0012 0.0004 0.012
Echinococcus granulosus histone deacetylase 7 0.0041 0.0047 0.2001
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0029 0.6265
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0052 0.2249

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 48 uM Inhibitory activity against histamine release from antigen-challenged, sensitized human basophils ChEMBL. 2415706
IC50 (functional) > 48 uM Inhibitory activity against histamine release from antigen-challenged, sensitized human basophils ChEMBL. 2415706

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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