Detailed information for compound 1533358

Basic information

Technical information
  • TDR Targets ID: 1533358
  • Name: methyl 5-chloro-3-pyrrol-1-yl-1-benzofuran-2- carboxylate
  • MW: 275.687 | Formula: C14H10ClNO3
  • H donors: 0 H acceptors: 1 LogP: 3.54 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1oc2c(c1n1cccc1)cc(cc2)Cl
  • InChi: 1S/C14H10ClNO3/c1-18-14(17)13-12(16-6-2-3-7-16)10-8-9(15)4-5-11(10)19-13/h2-8H,1H3
  • InChiKey: UOCOYYDXZHMCSZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 5-chloro-3-pyrrol-1-yl-benzofuran-2-carboxylate
  • 5-chloro-3-(1-pyrrolyl)-2-benzofurancarboxylic acid methyl ester
  • 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester
  • A2902/0122247
  • Benzofuran-2-carboxylic acid, 5-chloro-3-pyrrol-1-yl-, methyl ester
  • ZINC00094405
  • EU-0086730
  • MLS000122423
  • SMR000119836
  • BAS 07119715

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
Trichomonas vaginalis DNA helicase recq1, putative 0.002 1 0.5
Entamoeba histolytica recQ family helicase, putative 0.002 1 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 1 0.5
Schistosoma mansoni DNA helicase recq1 0.002 1 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 1 0.5
Giardia lamblia Sgs1 DNA helicase, putative 0.002 1 0.5
Loa Loa (eye worm) RecQ helicase 0.002 1 1
Trichomonas vaginalis DNA helicase recq, putative 0.002 1 0.5
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 1 0.5
Echinococcus multilocularis bloom syndrome protein 0.002 1 0.5
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 1 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 1 0.5
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 1 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0381 0.0381
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 1 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 1 0.5
Entamoeba histolytica recQ family DNA helicase 0.001 0.0381 0.0381
Echinococcus granulosus bloom syndrome protein 0.002 1 0.5
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 1 0.5
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 1 1
Loa Loa (eye worm) hypothetical protein 0.002 1 1
Brugia malayi Bloom's syndrome protein homolog 0.002 1 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0381 0.00000000841
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 1 0.5
Trichomonas vaginalis DNA helicase recq, putative 0.002 1 0.5
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 1 0.5
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0381 0.0381
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0381 1
Schistosoma mansoni DNA helicase recq5 0.002 1 1
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0381 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

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

No literature references available for this target.

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