Detailed information for compound 440723

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 180.157 | Formula: C9H8O4
  • H donors: 1 H acceptors: 2 LogP: 0.77 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc2c1C(O)OC2=O
  • InChi: 1S/C9H8O4/c1-12-6-4-2-3-5-7(6)9(11)13-8(5)10/h2-4,9,11H,1H3
  • InChiKey: DAOVSXMJHQYNPT-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 prolyl endopeptidase 0.1027 0.0721 0.1908
Plasmodium falciparum peptidase, putative 0.1027 0.0721 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.1027 0.0721 0.1571
Entamoeba histolytica prolyl oligopeptidase family protein 0.1027 0.0721 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.1027 0.0721 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.5237 0.4588 0.4588
Brugia malayi prolyl oligopeptidase family protein 0.5237 0.4588 0.4588
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0373 0.012 0.012
Giardia lamblia Alanyl dipeptidyl peptidase 0.1027 0.0721 1
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.1027 0.0721 0.1571
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0373 0.012 0.012
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1027 0.0721 0.0721
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1027 0.0721 0.0721
Onchocerca volvulus Prolyl endopeptidase homolog 0.1027 0.0721 0.0721
Wolbachia endosymbiont of Brugia malayi Xaa-Pro aminopeptidase 0.0571 0.0302 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1027 0.0721 0.0721
Entamoeba histolytica dipeptidyl-peptidase, putative 0.1027 0.0721 1
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.1027 0.0721 0.1571
Trichomonas vaginalis conserved hypothetical protein 0.1027 0.0721 1
Loa Loa (eye worm) prolyl oligopeptidase 1.113 1 1
Toxoplasma gondii hypothetical protein 0.1027 0.0721 0.1908
Echinococcus granulosus Dipeptidyl peptidase 9 0.5237 0.4588 0.4588
Trypanosoma cruzi oligopeptidase b 0.1027 0.0721 0.1571
Brugia malayi prolyl oligopeptidase family protein 0.1027 0.0721 0.0721
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.1027 0.0721 0.1571
Entamoeba histolytica hypothetical protein, conserved 0.1027 0.0721 1
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.1027 0.0721 0.0721
Toxoplasma gondii creatinase domain-containing protein 0.0571 0.0302 0.0799
Trypanosoma brucei prolyl endopeptidase 0.1027 0.0721 0.1571
Echinococcus granulosus xaa pro aminopeptidase 0.0571 0.0302 0.0302
Mycobacterium tuberculosis Probable peptidase 0.1027 0.0721 1
Echinococcus multilocularis acylamino acid releasing enzyme 0.1027 0.0721 0.0721
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0373 0.012 0.012
Brugia malayi prolyl oligopeptidase family protein 0.1027 0.0721 0.0721
Loa Loa (eye worm) hypothetical protein 0.1027 0.0721 0.0721
Loa Loa (eye worm) hypothetical protein 0.0415 0.0159 0.0159
Schistosoma mansoni aminopeptidase P1 (M24 family) 0.0287 0.0041 0.0041
Echinococcus multilocularis Dipeptidyl peptidase 9 0.5237 0.4588 0.4588
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.5237 0.4588 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.1027 0.0721 1
Loa Loa (eye worm) prolyl oligopeptidase 0.1027 0.0721 0.0721
Brugia malayi metallopeptidase family M24 containing protein 0.0571 0.0302 0.0302
Entamoeba histolytica hypothetical protein, conserved 0.0571 0.0302 0.4187
Brugia malayi hypothetical protein 0.3328 0.2835 0.2835
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.1027 0.0721 1
Trypanosoma cruzi oligopeptidase b 0.1027 0.0721 0.1571
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.4355 0.3777 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.5237 0.4588 1
Trypanosoma cruzi aminopeptidase P1, putative 0.0571 0.0302 0.0658
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.5237 0.4588 1
Trypanosoma brucei oligopeptidase b 0.1027 0.0721 0.1571
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 1.113 1 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 1.113 1 1
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.1027 0.0721 0.1908
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 1.113 1 1
Echinococcus multilocularis prolyl endopeptidase 0.1027 0.0721 0.0721
Loa Loa (eye worm) hypothetical protein 0.1027 0.0721 0.0721
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0571 0.0302 0.0658
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.1027 0.0721 0.1571
Echinococcus multilocularis xaa pro aminopeptidase 0.0571 0.0302 0.0302
Brugia malayi prolyl oligopeptidase family protein 0.1027 0.0721 0.0721
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.1027 0.0721 1
Chlamydia trachomatis aminopeptidase P 0.0314 0.0066 0.5
Plasmodium vivax hypothetical protein, conserved 0.1027 0.0721 1
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.1027 0.0721 1
Trypanosoma cruzi hypothetical protein, conserved 0.1027 0.0721 0.1571
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 1.113 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1027 0.0721 1
Onchocerca volvulus 0.0314 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.1909 0.1531 0.1531
Trypanosoma brucei Xaa-Pro aminopeptidase, putative 0.0571 0.0302 0.0658
Entamoeba histolytica prolyl oligopeptidase family protein 0.1027 0.0721 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.5237 0.4588 1
Trypanosoma cruzi hypothetical protein, conserved 0.1027 0.0721 0.1571
Treponema pallidum aminopeptidase P 0.0571 0.0302 0.5
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0571 0.0302 0.0658
Echinococcus granulosus prolyl endopeptidase 0.1027 0.0721 0.0721
Entamoeba histolytica dipeptidyl-peptidase, putative 0.1027 0.0721 1
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.1027 0.0721 0.1571
Entamoeba histolytica aminopeptidase, putative 0.0571 0.0302 0.4188
Trypanosoma cruzi prolyl endopeptidase 0.1027 0.0721 0.1571
Giardia lamblia Alanyl dipeptidyl peptidase 0.1027 0.0721 1
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0415 0.0159 0.0347
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.1027 0.0721 0.1571
Leishmania major oligopeptidase b 0.1027 0.0721 0.1571
Loa Loa (eye worm) hypothetical protein 0.3328 0.2835 0.2835
Echinococcus granulosus acylamino acid releasing enzyme 0.1027 0.0721 0.0721
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.5237 0.4588 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 200 uM Inhibition of acetosyringone-induced virB::lacZ expression in Agrobacterium tumefaciens A348/pSW209 ChEMBL. 17470391

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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