Detailed information for compound 1545288

Basic information

Technical information
  • TDR Targets ID: 1545288
  • Name: 4-acetyl-5-(2-fluorophenyl)-3-hydroxy-1-(4-hy droxyphenyl)-5H-pyrrol-2-one
  • MW: 327.306 | Formula: C18H14FNO4
  • H donors: 2 H acceptors: 4 LogP: 2.63 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)N1C(=O)C(=C(C1c1ccccc1F)C(=O)C)O
  • InChi: 1S/C18H14FNO4/c1-10(21)15-16(13-4-2-3-5-14(13)19)20(18(24)17(15)23)11-6-8-12(22)9-7-11/h2-9,16,22-23H,1H3
  • InChiKey: CUSUMEOSPXIFFB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-acetyl-5-(2-fluorophenyl)-3-hydroxy-1-(4-hydroxyphenyl)-3-pyrrolin-2-one
  • 4-ethanoyl-5-(2-fluorophenyl)-3-hydroxy-1-(4-hydroxyphenyl)-5H-pyrrol-2-one
  • A2196/0092395
  • BAS 01029202
  • EU-0038239

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
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1904 0.1904
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.1904 0.1904
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.1904 0.16
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.1904 0.5
Echinococcus granulosus lamin 0.003 0.4341 0.3011
Onchocerca volvulus 0.003 0.4341 0.5
Echinococcus multilocularis musashi 0.003 0.4341 0.3011
Giardia lamblia DINP protein human, muc B family 0.0022 0.1904 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1904 0.1904
Schistosoma mansoni lamin 0.003 0.4341 0.3011
Trypanosoma brucei DNA polymerase eta, putative 0.005 1 1
Echinococcus granulosus dna polymerase eta 0.005 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0035 0.577 0.4775
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.1904 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.1904 0.1904
Loa Loa (eye worm) hypothetical protein 0.003 0.4184 0.3966
Echinococcus multilocularis lamin 0.003 0.4341 0.3011
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.1904 0.5
Echinococcus multilocularis lamin dm0 0.003 0.4341 0.3011
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1904 0.1904
Echinococcus granulosus intermediate filament protein 0.003 0.4341 0.3011
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.1904 0.5
Trypanosoma brucei unspecified product 0.0022 0.1904 0.1904
Onchocerca volvulus 0.003 0.4341 0.5
Leishmania major DNA polymerase eta, putative 0.0035 0.577 0.4775
Trypanosoma cruzi DNA polymerase eta, putative 0.005 1 1
Loa Loa (eye worm) intermediate filament protein 0.003 0.4341 0.4129
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0035 0.577 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1904 0.1904
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.1904 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.1904 0.16
Echinococcus multilocularis dna polymerase eta 0.005 1 1
Echinococcus granulosus lamin dm0 0.003 0.4341 0.3011
Schistosoma mansoni DNA polymerase eta 0.005 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.4341 0.4129
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.1904 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.1904 0.1904
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.4341 0.4129
Brugia malayi intermediate filament protein 0.003 0.4341 0.4129
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1904 0.1904
Loa Loa (eye worm) hypothetical protein 0.005 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1904 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1904 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1904 0.1904
Schistosoma mansoni lamin 0.003 0.4341 0.3011
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1904 0.1904
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.1904 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1904 0.1904
Leishmania major DNA polymerase eta, putative 0.005 1 1
Schistosoma mansoni intermediate filament proteins 0.003 0.4341 0.3011
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.4341 0.4129

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 79.4328 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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