Detailed information for compound 288241

Basic information

Technical information
  • TDR Targets ID: 288241
  • Name: 6-ethyl-5-(4-fluorobenzoyl)-2,3-dihydro-1H-py rrolizine-1-carboxylic acid
  • MW: 301.312 | Formula: C17H16FNO3
  • H donors: 1 H acceptors: 3 LogP: 2.83 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cc2n(c1C(=O)c1ccc(cc1)F)CCC2C(=O)O
  • InChi: 1S/C17H16FNO3/c1-2-10-9-14-13(17(21)22)7-8-19(14)15(10)16(20)11-3-5-12(18)6-4-11/h3-6,9,13H,2,7-8H2,1H3,(H,21,22)
  • InChiKey: FSMLPSCEDRWLEO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 6-ethyl-5-[(4-fluorophenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
  • 6-ethyl-5-(4-fluorophenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

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 kappa, putative 0.0045 0.0839 0.043
Leishmania major DNA polymerase kappa, putative 0.0045 0.0839 0.043
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0043 0.0759 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0074 0.2622 1
Echinococcus multilocularis geminin 0.0196 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0839 0.3199
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0839 0.3199
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0045 0.0839 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0839 0.3199
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0839 0.3199
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0045 0.0839 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0839 0.3199
Echinococcus granulosus dna polymerase eta 0.0074 0.2622 0.1947
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.0839 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0045 0.0839 0.043
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0839 0.3199
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0839 0.3199
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0839 0.3199
Giardia lamblia DINP protein human, muc B family 0.0045 0.0839 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0839 0.3199
Entamoeba histolytica deoxycytidyl transferase, putative 0.0045 0.0839 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0839 0.043
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0839 0.043
Echinococcus multilocularis dna polymerase eta 0.0074 0.2622 0.1947
Loa Loa (eye worm) hypothetical protein 0.0074 0.2622 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0045 0.0839 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0839 0.3199
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0839 0.3199
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.0839 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0045 0.0839 0.5
Schistosoma mansoni DNA polymerase eta 0.0074 0.2622 0.1947
Schistosoma mansoni hypothetical protein 0.0196 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0074 0.2622 1
Trypanosoma brucei DNA polymerase eta, putative 0.0074 0.2622 1
Trypanosoma brucei unspecified product 0.0045 0.0839 0.3199
Leishmania major DNA polymerase eta, putative 0.0074 0.2622 1
Schistosoma mansoni hypothetical protein 0.0196 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0839 0.3199
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0839 0.3199
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0839 0.043

Activities

Activity type Activity value Assay description Source Reference
ED30 (functional) = 46 mg kg-1 Antiinflammatory activity was determined by inhibition of carrageenan-induced edema in rat paw with respect to phenylbutazone ChEMBL. 3572970
ED50 (functional) = 121 mg kg-1 Analgesic activity in mice by phenyl quinone-induced writhing assay with respect to aspirin. ChEMBL. 3572970
ED50 (functional) = 121 mg kg-1 Analgesic activity in mice by phenyl quinone-induced writhing assay with respect to aspirin. ChEMBL. 3572970

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

1 literature reference was collected for this gene.

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