Detailed information for compound 1315723

Basic information

Technical information
  • TDR Targets ID: 1315723
  • Name: 3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3 -benzoxazol-2-one
  • MW: 306.315 | Formula: C18H14N2O3
  • H donors: 1 H acceptors: 2 LogP: 3.26 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1[nH]c2c(c1C(=O)Cn1c(=O)oc3c1cccc3)cccc2
  • InChi: 1S/C18H14N2O3/c1-11-17(12-6-2-3-7-13(12)19-11)15(21)10-20-14-8-4-5-9-16(14)23-18(20)22/h2-9,19H,10H2,1H3
  • InChiKey: QOWPFMZHCNFRSI-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]-1,3-benzoxazol-2-one
  • 3-[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-benzoxazol-2-one
  • MLS000565149
  • SMR000152389
  • T0518-8823
  • ZINC03352924

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723

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 conserved hypothetical protein 0.0082 0.3203 0.5
Brugia malayi putative amidase 0.0027 0.0538 0.0459
Schistosoma mansoni lamin 0.0033 0.0814 0.0291
Plasmodium vivax PST-A protein 0.0082 0.3203 1
Loa Loa (eye worm) amidase 0.0027 0.0538 0.0538
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0082 0.3203 0.5
Schistosoma mansoni intermediate filament proteins 0.0033 0.0814 0.0291
Onchocerca volvulus 0.0033 0.0814 0.5
Trypanosoma cruzi monoglyceride lipase, putative 0.0082 0.3203 1
Echinococcus multilocularis musashi 0.0033 0.0814 0.0814
Brugia malayi Amidase family protein 0.0027 0.0538 0.0459
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0027 0.0538 0.5
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0082 0.3203 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0082 0.3203 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0814 0.0737
Loa Loa (eye worm) hypothetical protein 0.0033 0.0814 0.0814
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0082 0.3203 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0084 0.0084
Echinococcus granulosus lamin 0.0033 0.0814 0.0814
Plasmodium falciparum lysophospholipase, putative 0.0082 0.3203 1
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.3203 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0082 0.3203 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0785 0.0785
Echinococcus granulosus lamin dm0 0.0033 0.0814 0.0814
Plasmodium falciparum lysophospholipase, putative 0.0082 0.3203 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0027 0.0538 0.5
Loa Loa (eye worm) amidase 0.0027 0.0538 0.0538
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0027 0.0538 0.0538
Brugia malayi Amidase family protein 0.0027 0.0538 0.0459
Trypanosoma brucei monoglyceride lipase, putative 0.0082 0.3203 1
Mycobacterium ulcerans lysophospholipase 0.0082 0.3203 1
Schistosoma mansoni lamin 0.0033 0.0814 0.0291
Trypanosoma brucei monoglyceride lipase, putative 0.0082 0.3203 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0814 0.0814
Brugia malayi intermediate filament protein 0.0033 0.0814 0.0737
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0027 0.0538 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0027 0.0538 0.0538
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0027 0.0538 0.0538
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0082 0.3203 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0082 0.3203 0.5
Mycobacterium tuberculosis Possible lysophospholipase 0.0082 0.3203 1
Onchocerca volvulus 0.0033 0.0814 0.5
Leishmania major monoglyceride lipase, putative 0.0082 0.3203 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0814 0.0814
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0082 0.3203 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0027 0.0538 0.0538
Plasmodium falciparum lysophospholipase, putative 0.0082 0.3203 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0814 0.0814
Mycobacterium ulcerans hypothetical protein 0.0082 0.3203 1
Plasmodium falciparum esterase, putative 0.0082 0.3203 1
Echinococcus multilocularis lamin dm0 0.0033 0.0814 0.0814
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0082 0.3203 0.5
Echinococcus multilocularis lamin 0.0033 0.0814 0.0814

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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