Detailed information for compound 15853

Basic information

Technical information
  • TDR Targets ID: 15853
  • Name: 5-amino-8-chloro-1-cyclopropyl-7-[3-(ethylami nomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxoquino line-3-carboxylic acid
  • MW: 422.881 | Formula: C20H24ClFN4O3
  • H donors: 3 H acceptors: 3 LogP: 0.75 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNCC1CCN(C1)c1c(F)c(N)c2c(c1Cl)n(cc(c2=O)C(=O)O)C1CC1
  • InChi: 1S/C20H24ClFN4O3/c1-2-24-7-10-5-6-25(8-10)18-14(21)17-13(16(23)15(18)22)19(27)12(20(28)29)9-26(17)11-3-4-11/h9-11,24H,2-8,23H2,1H3,(H,28,29)
  • InChiKey: QETFYFHDHQIYIL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-amino-8-chloro-1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid
  • 5-amino-8-chloro-1-cyclopropyl-7-[3-(ethylaminomethyl)-1-pyrrolidinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid
  • 5-azanyl-8-chloro-1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid
  • 5-amino-8-chloro-1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidino]-6-fluoro-4-keto-quinoline-3-carboxylic acid
  • 5-amino-8-chloro-1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-keto-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
Echinococcus granulosus xaa pro aminopeptidase 0.0037 0.0427 0.0893
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0037 0.0427 0.1037
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0204 0.4115 0.5
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0024 0.0139 0.0338
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0204 0.4115 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.3333 0.3333
Leishmania major eukaryotic initiation factor 4a, putative 0.0204 0.4115 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0204 0.4115 1
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0204 0.4115 1
Echinococcus multilocularis disks large 3 0.0023 0.0128 0.0268
Brugia malayi Guanylate kinase family protein 0.0026 0.018 0.0284
Echinococcus granulosus disks large 3 0.0023 0.0128 0.0268
Trypanosoma brucei Xaa-Pro aminopeptidase, putative 0.0037 0.0427 0.1037
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0204 0.4115 0.8608
Loa Loa (eye worm) hypothetical protein 0.0024 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0204 0.4115 0.4115
Echinococcus granulosus eukaryotic initiation factor 4A 0.0204 0.4115 0.8608
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0204 0.4115 0.8608
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0037 0.0427 0.1037
Schistosoma mansoni integrin alpha-ps 0.0071 0.119 0.1873
Echinococcus multilocularis integrin alpha ps 0.0066 0.1065 0.2227
Plasmodium falciparum eukaryotic initiation factor 4A 0.0204 0.4115 1
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0204 0.4115 1
Loa Loa (eye worm) guanylate kinase 0.0019 0.0041 0.0041
Brugia malayi eukaryotic initiation factor 4A 0.0204 0.4115 0.6478
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0204 0.4115 0.8608
Schistosoma mansoni hypothetical protein 0.0066 0.1065 0.1676
Echinococcus granulosus integrin alpha ps 0.0066 0.1065 0.2227
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0204 0.4115 1
Brugia malayi Integrin alpha pat-2 precursor 0.0305 0.6353 1
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0231 0.4712 0.7418
Wolbachia endosymbiont of Brugia malayi Xaa-Pro aminopeptidase 0.0037 0.0427 0.5
Echinococcus multilocularis xaa pro aminopeptidase 0.0037 0.0427 0.0893
Echinococcus multilocularis integrin alpha 3 0.0234 0.4781 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0204 0.4115 1
Echinococcus granulosus integrin alpha 3 0.0234 0.4781 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.119 0.119
Schistosoma mansoni integrin alpha 0.0305 0.6353 1
Plasmodium vivax RNA helicase-1, putative 0.0204 0.4115 1
Plasmodium vivax peptidase, putative 0.0037 0.0427 0.1037
Plasmodium falciparum aminopeptidase P 0.0037 0.0427 0.1037
Echinococcus granulosus integrin alpha ps 0.0137 0.2637 0.5516
Treponema pallidum ATP-dependent RNA helicase 0.0204 0.4115 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0204 0.4115 0.6478
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0204 0.4115 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0204 0.4115 1
Schistosoma mansoni cell polarity protein 0.0023 0.0128 0.0202
Loa Loa (eye worm) lethal(1)discs large-1 tumor suppressor 0.0022 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.024 0.4905 0.4905
Trypanosoma cruzi aminopeptidase P1, putative 0.0037 0.0427 0.1037
Echinococcus multilocularis integrin alpha ps 0.0137 0.2637 0.5516
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0204 0.4115 0.6478
Loa Loa (eye worm) hypothetical protein 0.0066 0.1065 0.1065
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0204 0.4115 1
Echinococcus multilocularis integrin alpha ps 0.0137 0.2637 0.5516
Schistosoma mansoni integrin alpha-ps 0.0137 0.2637 0.4151
Leishmania major eukaryotic initiation factor 4a, putative 0.0204 0.4115 1
Toxoplasma gondii creatinase domain-containing protein 0.0037 0.0427 0.1037
Brugia malayi metallopeptidase family M24 containing protein 0.0037 0.0427 0.0672
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0204 0.4115 1
Loa Loa (eye worm) hypothetical protein 0.0231 0.4712 0.4712

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.025 ug ml-1 Antibacterial activity was determined against gram positive organism, S. aureus UC76 ChEMBL. 1848296
MIC (functional) = 0.025 ug ml-1 Antibacterial activity was determined against gram positive organism, S. pneumonia SV-1 ChEMBL. 1848296
MIC (functional) = 0.025 ug ml-1 Antibacterial activity was determined against gram positive organism, S. pyogenes C203 ChEMBL. 1848296
MIC (functional) = 0.1 ug ml-1 Antibacterial activity was determined against gram negative organism, E. coli vogel ChEMBL. 1848296
MIC (functional) = 0.1 ug ml-1 Antibacterial activity was determined against gram positive organism, S. auerus H228 ChEMBL. 1848296
MIC (functional) = 0.1 ug ml-1 Antibacterial activity was determined against gram positive organism, S. faecalis MGH-2 ChEMBL. 1848296
MIC (functional) = 0.1 ug ml-1 Antibacterial activity was determined against gram negative organism, E. coli vogel ChEMBL. 1848296
MIC (functional) = 0.2 ug ml-1 Antibacterial activity was determined against gram negative organism, E. cloacae MA2646 ChEMBL. 1848296
MIC (functional) = 0.4 ug ml-1 Antibacterial activity was determined against gram negative organism, K. pneumonia MGH-2 ChEMBL. 1848296
MIC (functional) = 0.8 ug ml-1 Antibacterial activity was determined against gram negative organism, P. rettgeri. M1771 ChEMBL. 1848296
MIC (functional) = 1 ug ml-1 Minimum inhibitory concentration against E. coli DNA-gyrase in supercoiling assay ChEMBL. 1848296
MIC (functional) = 1 ug ml-1 Minimum inhibitory concentration against E. coli DNA-gyrase in supercoiling assay ChEMBL. 1848296
MIC (functional) = 1.6 ug ml-1 Antibacterial activity was determined against gram negative organism, P. aeruginosa UI-18 ChEMBL. 1848296
PD50 (functional) = 3 mg kg-1 The in vivo potency was determined in female charles river CD-1 mice infected with E. coli after sc administration ChEMBL. 1848296
PD50 (functional) = 3 mg kg-1 The in vivo potency was determined in female charles river CD-1 mice infected with E. coli after sc administration ChEMBL. 1848296
PD50 (functional) = 4 mg kg-1 The in vivo potency was determined in female charles river CD-1 mice infected with S. pyogenes after sc administration ChEMBL. 1848296
PD50 (functional) = 31 mg kg-1 The in vivo potency was determined in female charles river CD-1 mice infected with S. pyogenes after peroral administration ChEMBL. 1848296
PD50 (functional) = 32 mg kg-1 The in vivo potency was determined in female charles river CD-1 mice infected with E. coli after peroral administration ChEMBL. 1848296
PD50 (functional) = 32 mg kg-1 The in vivo potency was determined in female charles river CD-1 mice infected with E. coli after peroral administration ChEMBL. 1848296

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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