Detailed information for compound 969970

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.279 | Formula: C16H14O6
  • H donors: 1 H acceptors: 2 LogP: 2.94 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C1OOC(OO1)c1ccc(cc1)C(=O)O
  • InChi: 1S/C16H14O6/c1-10-2-4-12(5-3-10)15-19-21-16(22-20-15)13-8-6-11(7-9-13)14(17)18/h2-9,15-16H,1H3,(H,17,18)
  • InChiKey: QZDTZOWFHQPZSV-UHFFFAOYSA-N  

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
Toxoplasma gondii DNA topoisomerase I, putative 0.0213255 1 0.5
Schistosoma mansoni DNA topoisomerase type I 0.0213255 1 1
Trichomonas vaginalis GTP-binding protein rit, putative 0.00870579 0.20964 0.5
Entamoeba histolytica Ras family GTPase 0.00870579 0.20964 0.5
Trichomonas vaginalis rap1 and, putative 0.00870579 0.20964 0.5
Leishmania major DNA topoisomerase IB, large subunit 0.015967 0.664405 1
Plasmodium falciparum topoisomerase I 0.0213255 1 0.5
Trichomonas vaginalis ras-dva small GTPase, putative 0.00870579 0.20964 0.5
Echinococcus multilocularis DNA topoisomerase 1 0.0213255 1 1
Plasmodium vivax topoisomerase I, putative 0.0213255 1 0.5
Echinococcus granulosus DNA topoisomerase 1 0.0213255 1 1
Loa Loa (eye worm) DNA topoisomerase I 0.0213255 1 1
Entamoeba histolytica Ras family GTPase 0.00870579 0.20964 0.5
Brugia malayi DNA topoisomerase I 0.0213255 1 1
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.015967 0.664405 1
Trichomonas vaginalis dexras1, putative 0.00870579 0.20964 0.5
Trichomonas vaginalis ral, putative 0.00870579 0.20964 0.5
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.015967 0.664405 1
Trichomonas vaginalis rheb, putative 0.00870579 0.20964 0.5
Entamoeba histolytica ras-1, putative 0.00870579 0.20964 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 9.26 uM Antimalarial activity against Plasmodium falciparum W2 assessed as plasmodial LDH activity after 72 hrs ChEMBL. 21530018
IC50 (functional) = 10.58 uM Antimalarial activity against Plasmodium falciparum D6 assessed as plasmodial LDH activity after 72 hrs ChEMBL. 21530018

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 21530018

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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