Detailed information for compound 987841

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 273.714 | Formula: C15H12ClNO2
  • H donors: 0 H acceptors: 0 LogP: 4.55 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C1ON=C(O1)c1ccccc1Cl
  • InChi: 1S/C15H12ClNO2/c1-10-6-8-11(9-7-10)15-18-14(17-19-15)12-4-2-3-5-13(12)16/h2-9,15H,1H3
  • InChiKey: BAIFYGLTSUKQMQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0288 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0 0.5
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0288 1 1
Echinococcus multilocularis muscleblind protein 0.0159 0.3698 0.3698
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0288 1 0.5
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0288 1 0.5
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0288 1 1
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0288 1 1
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0288 1 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0083 0 0.5
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0288 1 1
Loa Loa (eye worm) hypothetical protein 0.0159 0.3698 0.3698
Echinococcus multilocularis muscleblind protein 1 0.0159 0.3698 0.3698
Loa Loa (eye worm) hypothetical protein 0.0159 0.3698 0.3698
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0288 1 1
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0288 1 0.5
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0288 1 1
Brugia malayi Muscleblind-like protein 0.0159 0.3698 0.3698
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0083 0 0.5
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0288 1 0.5
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0288 1 0.5
Echinococcus granulosus muscleblind protein 0.0159 0.3698 0.3698
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0288 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0083 0 0.5
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0288 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0083 0 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0083 0 0.5
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0288 1 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 1.8 uM Antiamnesic activity against Entamoeba histolytica HM-1:IMSS after 72 hrs by trypan blue exclusion assay ChEMBL. 18384916

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Entamoeba histolytica ChEMBL23 18384916

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.