Detailed information for compound 183469

Basic information

Technical information
  • TDR Targets ID: 183469
  • Name: 2-(1H-imidazol-2-yl)-3-methylimidazole-4-carb onitrile
  • MW: 173.175 | Formula: C8H7N5
  • H donors: 1 H acceptors: 3 LogP: -0.1 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cnc(n1C)c1ncc[nH]1
  • InChi: 1S/C8H7N5/c1-13-6(4-9)5-12-8(13)7-10-2-3-11-7/h2-3,5H,1H3,(H,10,11)
  • InChiKey: GDUYMLHKVWZSJE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(1H-imidazol-2-yl)-3-methyl-imidazole-4-carbonitrile
  • 2-(1H-imidazol-2-yl)-3-methyl-4-imidazolecarbonitrile

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 chromatin regulatory protein sir2 0.227 1 1
Plasmodium vivax hypothetical protein, conserved 0.0335 0.1406 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0221 0.0085
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0221 0.0085
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.0512 0.047
Echinococcus multilocularis chromatin regulatory protein sir2 0.227 1 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0335 0.1406 0.1287
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.0512 0.047
Schistosoma mansoni hypothetical protein 0.0371 0.1568 0.1451
Loa Loa (eye worm) RNA binding protein 0.0068 0.0221 0.0177
Echinococcus granulosus geminin 0.0371 0.1568 0.1451
Mycobacterium ulcerans Sir2-like regulatory protein 0.0335 0.1406 0.5
Trypanosoma brucei SIR2-like protein 4, putative 0.0335 0.1406 0.1368
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.227 1 1
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0335 0.1406 0.1368
Echinococcus granulosus chromatin regulatory protein sir2 0.227 1 1
Brugia malayi transcriptional regulator, Sir2 family protein 0.0335 0.1406 0.1406
Plasmodium vivax NAD-dependent deacetylase, putative 0.0335 0.1406 1
Brugia malayi TAR-binding protein 0.0068 0.0221 0.0221
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.227 1 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0335 0.1406 0.1287
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0335 0.1406 0.1287
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.227 1 1
Echinococcus multilocularis geminin 0.0371 0.1568 0.1451
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0335 0.1406 0.1368
Schistosoma mansoni hypothetical protein 0.0118 0.0445 0.0312
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0118 0.0445 0.0312
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0335 0.1406 0.1368
Mycobacterium ulcerans NAD-dependent deacetylase 0.0335 0.1406 0.5
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0335 0.1406 0.1006
Loa Loa (eye worm) transcriptional regulator 0.0335 0.1406 0.1368
Loa Loa (eye worm) transcriptional regulator 0.227 1 1
Echinococcus granulosus tar DNA binding protein 0.0068 0.0221 0.0085
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0335 0.1406 0.1368
Leishmania major sir2-family protein-like protein 0.0335 0.1406 0.1368
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0137 0.0093
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0221 0.0085
Trypanosoma brucei Silent information regulator 2 related protein 1 0.227 1 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0221 0.0085
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0137 0.0137
Brugia malayi transcriptional regulator, Sir2 family protein 0.0335 0.1406 0.1406
Schistosoma mansoni chromatin regulatory protein sir2 0.227 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0118 0.0445 0.0312
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0335 0.1406 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.227 1 1
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0335 0.1406 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0335 0.1406 0.1287
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0221 0.0177
Schistosoma mansoni chromatin regulatory protein sir2 0.0335 0.1406 0.1287
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0221 0.0085
Schistosoma mansoni chromatin regulatory protein sir2 0.0335 0.1406 0.1287
Giardia lamblia Hypothetical protein 0.227 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0335 0.1406 0.1006
Leishmania major silent information regulator 2, putative 0.227 1 1
Toxoplasma gondii histone deacetylase SIR2 0.0335 0.1406 1
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0335 0.1406 0.5
Schistosoma mansoni chromatin regulatory protein sir2 0.0335 0.1406 0.1287
Brugia malayi NAD-dependent deacetylase SIRT1 0.0335 0.1406 0.1406
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0335 0.1406 0.1006
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0221 0.0221
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0335 0.1406 0.1287
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.227 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.227 1 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.227 1 1
Brugia malayi hypothetical protein 0.0118 0.0445 0.0445
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0335 0.1406 0.1287
Loa Loa (eye worm) transcriptional regulator 0.0335 0.1406 0.1368
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0221 0.0085
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0221 0.0177
Brugia malayi RNA binding protein 0.0068 0.0221 0.0221
Toxoplasma gondii histone deacetylase SIR2-like 0.0335 0.1406 1
Schistosoma mansoni transcription factor LCR-F1 0.0118 0.0445 0.0312
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0335 0.1406 0.1287
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.227 1 1
Brugia malayi hypothetical protein 0.0028 0.0044 0.0044
Schistosoma mansoni hypothetical protein 0.0371 0.1568 0.1451
Loa Loa (eye worm) hypothetical protein 0.0335 0.1406 0.1368
Brugia malayi MH2 domain containing protein 0.0134 0.0512 0.0512
Schistosoma mansoni chromatin regulatory protein sir2 0.227 1 1
Loa Loa (eye worm) sirtuin 4 0.0335 0.1406 0.1368

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = 3 % Peak percent change in contractile force produced by the administration of 1 mg/kg intravenously in anesthetized dog ChEMBL. 2153209

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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