Detailed information for compound 1209742

Basic information

Technical information
  • TDR Targets ID: 1209742
  • Name: 7-fluoro-5-[2-oxo-2-(4-phenylpiperazin-1-yl)e thyl]pyrrolo[2,1-c]quinoxalin-4-one
  • MW: 404.437 | Formula: C23H21FN4O2
  • H donors: 0 H acceptors: 2 LogP: 2.97 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1)n(CC(=O)N1CCN(CC1)c1ccccc1)c(=O)c1n2ccc1
  • InChi: 1S/C23H21FN4O2/c24-17-8-9-19-21(15-17)28(23(30)20-7-4-10-27(19)20)16-22(29)26-13-11-25(12-14-26)18-5-2-1-3-6-18/h1-10,15H,11-14,16H2
  • InChiKey: ZGFAPNYUEWKSCN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-fluoro-5-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-4-pyrrolo[2,1-c]quinoxalinone
  • 7-fluoro-5-[2-keto-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolo[2,1-c]quinoxalin-4-one
  • E228-1770
  • NCGC00121654-01

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 cruzi DNA polymerase eta, putative 0.0093 0.1049 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.0627 0.0627
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0069 0.0614 0.0614
Trypanosoma cruzi DNA polymerase kappa, putative 0.0065 0.0523 0.4987
Echinococcus granulosus GPCR family 2 0.0069 0.0614 0.0614
Brugia malayi latrophilin 2 splice variant baaae 0.015 0.2103 0.2377
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0077 0.0077
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0065 0.0523 0.0523
Trypanosoma brucei DNA polymerase kappa, putative 0.0065 0.0523 0.4987
Trichomonas vaginalis DNA polymerase eta, putative 0.0065 0.0523 0.5
Brugia malayi RNA recognition motif domain containing protein 0.007 0.0627 0.0709
Echinococcus granulosus muscleblind protein 0.0509 0.8736 0.8736
Echinococcus multilocularis transcription factor eb 0.0368 0.6127 0.6127
Loa Loa (eye worm) RNA binding protein 0.007 0.0627 0.0709
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0065 0.0523 1
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0368 0.6127 0.6927
Brugia malayi Ets-domain containing protein 0.008 0.0813 0.0919
Echinococcus granulosus dna polymerase eta 0.0093 0.1049 0.1049
Onchocerca volvulus 0.0515 0.8845 1
Brugia malayi Latrophilin receptor protein 2 0.0069 0.0614 0.0694
Loa Loa (eye worm) hypothetical protein 0.022 0.3385 0.3828
Brugia malayi hypothetical protein 0.0515 0.8845 1
Echinococcus multilocularis tar DNA binding protein 0.007 0.0627 0.0627
Entamoeba histolytica heat shock transcription factor, putative 0.0111 0.1379 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.008 0.0813 0.0919
Trypanosoma brucei DNA polymerase kappa, putative 0.0065 0.0523 0.4987
Leishmania major DNA polymerase eta, putative 0.0049 0.0227 0.2166
Brugia malayi MH2 domain containing protein 0.0407 0.6848 0.7742
Echinococcus granulosus dna polymerase kappa 0.0065 0.0523 0.0523
Brugia malayi HSF-type DNA-binding domain containing protein 0.0111 0.1379 0.1559
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0069 0.0614 0.0614
Leishmania major DNA polymerase kappa, putative 0.0065 0.0523 0.4987
Echinococcus granulosus tar DNA binding protein 0.007 0.0627 0.0627
Schistosoma mansoni DNA polymerase eta 0.0093 0.1049 0.1049
Schistosoma mansoni ets-related 0.0244 0.3829 0.3829
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0153 0.1461
Schistosoma mansoni hypothetical protein 0.0578 1 1
Loa Loa (eye worm) hypothetical protein 0.0515 0.8845 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.0627 0.0627
Trypanosoma brucei DNA polymerase kappa, putative 0.0065 0.0523 0.4987
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0069 0.0614 0.0614
Mycobacterium ulcerans DNA polymerase IV 0.0065 0.0523 0.5
Schistosoma mansoni tar DNA-binding protein 0.007 0.0627 0.0627
Loa Loa (eye worm) hypothetical protein 0.0069 0.0614 0.0694
Giardia lamblia DINP protein human, muc B family 0.0065 0.0523 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0065 0.0523 0.0591
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.022 0.3385 0.3828
Trypanosoma brucei DNA polymerase kappa, putative 0.0065 0.0523 0.4987
Loa Loa (eye worm) hypothetical protein 0.0366 0.6094 0.689
Trypanosoma brucei DNA polymerase IV, putative 0.0065 0.0523 0.4987
Loa Loa (eye worm) transcription factor SMAD2 0.0407 0.6848 0.7742
Echinococcus multilocularis muscleblind protein 0.0509 0.8736 0.8736
Loa Loa (eye worm) hypothetical protein 0.0069 0.0598 0.0676
Schistosoma mansoni hypothetical protein 0.0069 0.0614 0.0614
Echinococcus multilocularis GA binding protein alpha chain 0.008 0.0813 0.0813
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0036 0 0.5
Echinococcus multilocularis GPCR, family 2 0.0069 0.0614 0.0614
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0077 0.0077
Loa Loa (eye worm) fli-1 protein 0.0244 0.3829 0.4329
Schistosoma mansoni hypothetical protein 0.0578 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.022 0.3385 0.3828
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0366 0.6094 0.689
Loa Loa (eye worm) hypothetical protein 0.0509 0.8736 0.9877
Trypanosoma brucei unspecified product 0.0045 0.0153 0.1461
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0065 0.0523 0.0523
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0049 0.0227 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0153 0.1461
Echinococcus granulosus GA binding protein alpha chain 0.008 0.0813 0.0813
Echinococcus granulosus transcription factor eb 0.0368 0.6127 0.6127
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.0627 0.0709
Trypanosoma brucei DNA polymerase kappa, putative 0.0065 0.0523 0.4987
Trypanosoma brucei DNA polymerase eta, putative 0.0093 0.1049 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.022 0.3385 0.3828
Brugia malayi Muscleblind-like protein 0.0509 0.8736 0.9877
Brugia malayi ImpB/MucB/SamB family protein 0.0065 0.0523 0.0591
Schistosoma mansoni hypothetical protein 0.0069 0.0614 0.0614
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0065 0.0523 0.0523
Entamoeba histolytica heat shock transcription factor, putative 0.0111 0.1379 1
Schistosoma mansoni hypothetical protein 0.004 0.0077 0.0077
Mycobacterium tuberculosis Conserved hypothetical protein 0.0065 0.0523 1
Brugia malayi Ets-domain containing protein 0.008 0.0813 0.0919
Brugia malayi hypothetical protein 0.004 0.0077 0.0087
Trypanosoma brucei DNA polymerase IV, putative 0.0065 0.0523 0.4987
Trypanosoma cruzi DNA polymerase eta, putative 0.0049 0.0227 0.2166
Loa Loa (eye worm) hypothetical protein 0.0093 0.1049 0.1186
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0069 0.0614 0.0694
Loa Loa (eye worm) hypothetical protein 0.015 0.2103 0.2377
Echinococcus multilocularis muscleblind protein 1 0.0509 0.8736 0.8736
Echinococcus multilocularis geminin 0.0578 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0065 0.0523 0.4987
Trypanosoma brucei DNA polymerase kappa, putative 0.0065 0.0523 0.4987
Schistosoma mansoni terminal deoxycytidyl transferase 0.0065 0.0523 0.0523
Entamoeba histolytica deoxycytidyl transferase, putative 0.0065 0.0523 0.343
Trypanosoma brucei unspecified product 0.0045 0.0153 0.1461
Loa Loa (eye worm) hypothetical protein 0.0111 0.1379 0.1559
Trypanosoma brucei DNA polymerase kappa, putative 0.0065 0.0523 0.4987
Loa Loa (eye worm) latrophilin receptor protein 2 0.0069 0.0614 0.0694
Brugia malayi ImpB/MucB/SamB family protein 0.0093 0.1049 0.1186
Schistosoma mansoni hypothetical protein 0.015 0.2103 0.2103
Trypanosoma cruzi DNA polymerase kappa, putative 0.0065 0.0523 0.4987
Echinococcus multilocularis dna polymerase eta 0.0093 0.1049 0.1049
Schistosoma mansoni tar DNA-binding protein 0.007 0.0627 0.0627
Echinococcus multilocularis dna polymerase kappa 0.0065 0.0523 0.0523
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0069 0.0614 0.0614
Trypanosoma cruzi DNA polymerase kappa, putative 0.0065 0.0523 0.4987
Loa Loa (eye worm) TAR-binding protein 0.007 0.0627 0.0709
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0153 0.1461
Mycobacterium ulcerans DNA polymerase IV 0.0065 0.0523 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0065 0.0523 0.4987
Brugia malayi TAR-binding protein 0.007 0.0627 0.0709
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0065 0.0523 0.5
Trypanosoma brucei unspecified product 0.0065 0.0523 0.4987
Schistosoma mansoni hypothetical protein 0.0069 0.0614 0.0614
Loa Loa (eye worm) MH2 domain-containing protein 0.0407 0.6848 0.7742
Trypanosoma brucei DNA polymerase IV, putative 0.0065 0.0523 0.4987
Brugia malayi Fli-1 protein 0.0244 0.3829 0.4329
Entamoeba histolytica heat shock transcription factor, putative 0.0111 0.1379 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0065 0.0523 0.4987
Schistosoma mansoni tar DNA-binding protein 0.007 0.0627 0.0627
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0065 0.0523 0.4987
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0077 0.0077
Brugia malayi RNA binding protein 0.007 0.0627 0.0709
Leishmania major DNA polymerase eta, putative 0.0093 0.1049 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0065 0.0523 0.4987
Schistosoma mansoni gabp alpha 0.008 0.0813 0.0813
Schistosoma mansoni hypothetical protein 0.0069 0.0614 0.0614
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0036 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0509 0.8736 0.9877

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 100 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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