Detailed information for compound 51176

Basic information

Technical information
  • TDR Targets ID: 51176
  • Name: 2-acetyl-7-methoxybenzo[f][1]benzofuran-4,9-d ione
  • MW: 270.237 | Formula: C15H10O5
  • H donors: 0 H acceptors: 3 LogP: 2.25 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)C(=O)c1c(C2=O)cc(o1)C(=O)C
  • InChi: 1S/C15H10O5/c1-7(16)12-6-11-13(17)9-4-3-8(19-2)5-10(9)14(18)15(11)20-12/h3-6H,1-2H3
  • InChiKey: VFSZKXSSCLAMNZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-acetyl-7-methoxy-benzo[f]benzofuran-4,9-dione
  • 2-acetyl-7-methoxybenzo[f]benzofuran-4,9-dione
  • 2-ethanoyl-7-methoxy-benzo[f][1]benzofuran-4,9-dione
  • 2-acetyl-7-methoxy-benzo[f]benzofuran-4,9-quinone
  • 2-acetyl-7-methoxybenzo[f][1]benzoxole-4,9-dione
  • 2-ethanoyl-7-methoxy-benzo[f][1]benzoxole-4,9-dione

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
Echinococcus granulosus methionyl aminopeptidase 2 0.0101 1 1
Loa Loa (eye worm) initiation factor 2-associated protein 0.0101 1 1
Plasmodium vivax methionine aminopeptidase 2, putative 0.0101 1 1
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0101 1 0.5
Entamoeba histolytica methionine aminopeptidase, putative 0.0101 1 0.5
Toxoplasma gondii methionine aminopeptidase 0.0064 0.3405 0.3405
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0101 1 0.5
Treponema pallidum methionine aminopeptidase (map) 0.0045 0 0.5
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0101 1 1
Leishmania major methionine aminopeptidase 2, putative 0.0101 1 1
Giardia lamblia Methionine aminopeptidase 0.0101 1 0.5
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0101 1 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0101 1 1
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0064 0.3405 0.3405
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0101 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0101 1 0.5
Mycobacterium ulcerans methionine aminopeptidase 0.0045 0 0.5
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0045 0 0.5
Echinococcus multilocularis methionyl aminopeptidase 2 0.0101 1 1
Plasmodium falciparum methionine aminopeptidase 2 0.0101 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0045 0 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0045 0 0.5
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0101 1 1
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0045 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0101 1 0.5
Chlamydia trachomatis methionine aminopeptidase 0.0045 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0101 1 0.5
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0064 0.3405 0.3405
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0064 0.3405 0.3405
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0101 1 1
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0045 0 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0045 0 0.5

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 100 % Percent inhibition of growth against Trypanosoma cruzi epimastigotes, Y strain at concentration 4 microg/ml (13-17 microM) ChEMBL. No reference
GI (functional) = 100 % Percent inhibition of growth against Trypanosoma cruzi epimastigotes, Y strain at concentration 4 microg/ml (13-17 microM) ChEMBL. No reference
IC50 (functional) = 0.49 uM In vitro for antitrypanosomal activity against Trypanosoma cruzi epimastigote, Ystrain ChEMBL. No reference
IC50 (functional) = 0.49 uM In vitro for antitrypanosomal activity against Trypanosoma cruzi epimastigote, Ystrain ChEMBL. No reference
IC50 (functional) = 0.53 uM In vitro antitrypanosomal activity against Trypanosoma cruzi epimastigote, CL strain ChEMBL. No reference
IC50 (functional) = 0.53 uM In vitro antitrypanosomal activity against Trypanosoma cruzi epimastigote, CL strain ChEMBL. No reference
IC50 (functional) = 0.57 uM In vitro for antitrypanosomal activity against Trypanosoma cruzi epimastigote, SC-28 strain ChEMBL. No reference
IC50 (functional) = 0.57 uM In vitro for antitrypanosomal activity against Trypanosoma cruzi epimastigote, SC-28 strain ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma cruzi ChEMBL23

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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