Detailed information for compound 1727501

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 216.236 | Formula: C12H12N2O2
  • H donors: 0 H acceptors: 1 LogP: 0.82 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1=NN2C(C1)c1ccccc1OCC2=O
  • InChi: 1S/C12H12N2O2/c1-8-6-10-9-4-2-3-5-11(9)16-7-12(15)14(10)13-8/h2-5,10H,6-7H2,1H3
  • InChiKey: MGLDRPPAYDKPNL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens telomerase reverse transcriptase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans telomerase reverse transcriptase Get druggable targets OG5_131652 All targets in OG5_131652
Babesia bovis conserved hypothetical protein Get druggable targets OG5_131652 All targets in OG5_131652
Candida albicans telomerase reverse transcriptase Get druggable targets OG5_131652 All targets in OG5_131652
Theileria parva hypothetical protein Get druggable targets OG5_131652 All targets in OG5_131652
Brugia malayi Telomerase reverse transcriptase Get druggable targets OG5_131652 All targets in OG5_131652
Onchocerca volvulus Telomerase reverse transcriptase homolog Get druggable targets OG5_131652 All targets in OG5_131652
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 transcription factor LCR-F1 0.0037 0.0739 1
Brugia malayi hypothetical protein 0.0037 0.0739 0.0658
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0284 0.1085
Entamoeba histolytica hypothetical protein 0.0037 0.0739 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0284 1
Schistosoma mansoni hypothetical protein 0.0037 0.0739 1
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0284 0.5
Leishmania major telomerase reverse transcriptase, putative 0.0103 0.2533 1
Entamoeba histolytica recQ family DNA helicase 0.001 0.0011 0.0146
Entamoeba histolytica hypothetical protein 0.0037 0.0739 1
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0011 0.5
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0011 0.0043
Entamoeba histolytica recQ family helicase, putative 0.002 0.0284 0.3847
Giardia lamblia Telomerase catalytic subunit 0.0103 0.2533 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0284 0.1123
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.00000000841
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0284 0.1123
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0284 0.5
Schistosoma mansoni DNA helicase recq5 0.002 0.0284 0.3755
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0739 1
Plasmodium vivax telomerase reverse transcriptase, putative 0.0103 0.2533 1
Loa Loa (eye worm) RecQ helicase 0.002 0.0284 1
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0284 0.5
Trypanosoma brucei telomerase reverse transcriptase 0.0103 0.2533 1
Entamoeba histolytica hypothetical protein 0.0037 0.0739 1
Brugia malayi Telomerase reverse transcriptase 0.0273 0.7194 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0011 0.0043
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0103 0.2533 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0103 0.2533 1
Toxoplasma gondii RNA-directed DNA polymerase 0.0103 0.2533 1
Plasmodium falciparum telomerase reverse transcriptase 0.0103 0.2533 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0739 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0284 1
Entamoeba histolytica hypothetical protein 0.0037 0.0739 1
Schistosoma mansoni DNA helicase recq1 0.002 0.0284 0.3755

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 14.8 uM Inhibition of telomerase-mediated supercoiling activity in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA assay ChEMBL. 23265905

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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