Detailed information for compound 711452

Basic information

Technical information
  • TDR Targets ID: 711452
  • Name: N-(2-cyanophenyl)oxolane-2-carboxamide
  • MW: 216.236 | Formula: C12H12N2O2
  • H donors: 1 H acceptors: 2 LogP: 1.77 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccccc1NC(=O)C1CCCO1
  • InChi: 1S/C12H12N2O2/c13-8-9-4-1-2-5-10(9)14-12(15)11-6-3-7-16-11/h1-2,4-5,11H,3,6-7H2,(H,14,15)
  • InChiKey: IWLXGMIZDLRQFK-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(2-cyanophenyl)tetrahydrofuran-2-carboxamide
  • N-(2-cyanophenyl)-2-tetrahydrofurancarboxamide
  • BAS 06979900
  • Tetrahydro-furan-2-carboxylic acid (2-cyano-phenyl)-amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

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
Giardia lamblia Hypothetical protein 0.0141 0.8746 0.8746
Leishmania major silent information regulator 2, putative 0.0141 0.8746 1
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0082 0.3233 1
Mycobacterium ulcerans NAD-dependent deacetylase 0.0082 0.3233 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0154 1 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.5459 0.5459
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0154 1 1
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0154 1 1
Plasmodium vivax NAD-dependent deacetylase, putative 0.0082 0.3233 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0154 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0154 1 1
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0082 0.3233 0.3696
Schistosoma mansoni chromatin regulatory protein sir2 0.0141 0.8746 0.8746
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0141 0.8746 0.8746
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0082 0.3233 0.3233
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0082 0.3233 0.3233
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0082 0.3233 0.3696
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0141 0.8746 1
Loa Loa (eye worm) hypothetical protein 0.0154 1 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0141 0.8746 1
Toxoplasma gondii histone deacetylase SIR2 0.0082 0.3233 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0082 0.3233 0.3233
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0082 0.3233 0.5
Giardia lamblia Transcriptional regulator, Sir2 family 0.0082 0.3233 0.3233
Echinococcus multilocularis chromatin regulatory protein sir2 0.0141 0.8746 0.8746
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0141 0.8746 1
Loa Loa (eye worm) transcriptional regulator 0.0141 0.8746 0.8746
Echinococcus granulosus chromatin regulatory protein sir2 0.0141 0.8746 0.8746
Brugia malayi transcriptional regulator, Sir2 family protein 0.0141 0.8746 0.8746
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0141 0.8746 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0141 0.8746 0.8746
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0082 0.3233 0.3696
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0141 0.8746 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0154 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0154 1 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0141 0.8746 0.8746
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0141 0.8746 0.8746
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0082 0.3233 0.3233
Schistosoma mansoni chromatin regulatory protein sir2 0.0141 0.8746 0.8746
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0154 1 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0141 0.8746 0.8746

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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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