Detailed information for compound 1685091

Basic information

Technical information
  • TDR Targets ID: 1685091
  • Name: 7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl ]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinol ine-3-carboxylic acid
  • MW: 407.866 | Formula: C20H23ClFN3O3
  • H donors: 2 H acceptors: 3 LogP: 1.17 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cc2c(c(c1N1CC[C@@H](C1)C(N)(C)C)Cl)n(cc(c2=O)C(=O)O)C1CC1
  • InChi: 1S/C20H23ClFN3O3/c1-20(2,23)10-5-6-24(8-10)17-14(22)7-12-16(15(17)21)25(11-3-4-11)9-13(18(12)26)19(27)28/h7,9-11H,3-6,8,23H2,1-2H3,(H,27,28)/t10-/m0/s1
  • InChiKey: JTUKDZYVNUJIBP-JTQLQIEISA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-[(3S)-3-(1-amino-1-methyl-ethyl)pyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
  • 7-[(3S)-3-(1-amino-1-methylethyl)-1-pyrrolidinyl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
  • 7-[(3S)-3-(1-amino-1-methyl-ethyl)pyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid
  • 7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-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
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.1072 0.1372 0.5101
Chlamydia trachomatis UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminoligase 0.1638 0.2817 0.1018
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0868 0.0849 0.4528
Plasmodium vivax prenyltransferase alpha subunit, putative 0.1269 0.1875 1
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.1269 0.1875 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramate-alanine ligase 0.2385 0.4727 0.3407
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.1072 0.1372 0.5101
Mycobacterium ulcerans UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase 0.1638 0.2817 0.1018
Mycobacterium tuberculosis Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS) 0.1319 0.2003 0.1546
Chlamydia trachomatis UDP-N-acetylmuramoylalanine--D-glutamate ligase 0.3541 0.7684 0.7104
Loa Loa (eye worm) hypothetical protein 0.1269 0.1875 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.0868 0.0849 0.5
Mycobacterium leprae ProbableUDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.1638 0.2817 0.2407
Leishmania major farnesyltransferase beta subunit 0.0868 0.0849 0.5
Mycobacterium leprae Probable UDP-N-acetylmuramoylalanine-D-glutamate ligase MurD 0.2222 0.4312 0.3987
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.1269 0.1875 1
Chlamydia trachomatis bifunctional UDP-N-acetylmuramate-alanine ligase/D-alanine-D-alanine ligase 0.2385 0.4727 0.3407
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.1269 0.1875 1
Giardia lamblia Rab geranylgeranyltransferase 0.1269 0.1875 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0907 0.095 0.0984
Mycobacterium ulcerans UDP-N-acetylenolpyruvoylglucosamine reductase 0.4447 1 1
Treponema pallidum UDP-N-acetylmuramoylalanine--D-glutamate ligase (murD) 0.3541 0.7684 0.7104
Mycobacterium ulcerans UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase 0.3541 0.7684 0.7104
Mycobacterium leprae PROBABLE UDP-N-ACETYLENOLPYRUVOYLGLUCOSAMINE REDUCTASE MURB (UDP-N-ACETYLMURAMATE DEHYDROGENASE) 0.4447 1 1
Mycobacterium ulcerans UDP-N-acetylmuramate--L-alanine ligase 0.2385 0.4727 0.3407
Trypanosoma cruzi protein farnesyltransferase, putative 0.0868 0.0849 0.5
Mycobacterium tuberculosis Probable UDP-N-acetylmuramoylalanine-D-glutamate ligase MurD 0.2222 0.4312 0.3987
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramoylalanine-D-glutamate ligase 0.266 0.5431 0.4287
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.1072 0.1372 0.5101
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.1269 0.1875 1
Treponema pallidum UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase (murE) 0.1638 0.2817 0.1018
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.1269 0.1875 1
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.1072 0.1372 0.5101
Mycobacterium tuberculosis Probable UDP-N-acetylenolpyruvoylglucosamine reductase MurB (UDP-N-acetylmuramate dehydrogenase) 0.4447 1 1
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.1072 0.1372 0.5101
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramyl pentapeptide synthase 0.1638 0.2817 0.1018
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.1269 0.1875 1
Treponema pallidum UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanine ligase (murF) 0.1638 0.2817 0.1018
Treponema pallidum UDP-N-acetylmuramate--L-alanine ligase 0.2385 0.4727 0.3407
Toxoplasma gondii hypothetical protein 0.0907 0.095 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1269 0.1875 1
Treponema pallidum UDP-N-acetylenolpyruvoylglucosamine reductase 0.4447 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1269 0.1875 1
Mycobacterium tuberculosis Probable UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.1638 0.2817 0.2407
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.1072 0.1372 0.5101
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.1072 0.1372 0.5101
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.1269 0.1875 1
Mycobacterium ulcerans UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.1638 0.2817 0.1018
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.1072 0.1372 0.5101
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylenolpyruvoylglucosamine reductase 0.4447 1 1
Mycobacterium leprae PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS) 0.1319 0.2003 0.1546
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0868 0.0849 0.5
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.1269 0.1875 1

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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