Detailed information for compound 15291

Basic information

Technical information
  • TDR Targets ID: 15291
  • Name: 7-[3-(aminomethyl)piperidin-1-yl]-8-chloro-1- cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxy lic acid
  • MW: 393.84 | Formula: C19H21ClFN3O3
  • H donors: 2 H acceptors: 3 LogP: 0.91 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCC1CCCN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)C1CC1
  • InChi: 1S/C19H21ClFN3O3/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-3-4-11)6-14(21)17(15)23-5-1-2-10(7-22)8-23/h6,9-11H,1-5,7-8,22H2,(H,26,27)
  • InChiKey: IQUZMJQNGTWIKG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-[3-(aminomethyl)-1-piperidyl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
  • 7-[3-(aminomethyl)-1-piperidinyl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
  • 7-[3-(aminomethyl)piperidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
  • 7-[3-(aminomethyl)piperidino]-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid
  • 7-[3-(aminomethyl)-1-piperidyl]-8-chloro-1-cyclopropyl-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
Loa Loa (eye worm) doublecortin family protein 0.0021 0 0.5
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Brugia malayi hypothetical protein 0.0021 0 0.5
Brugia malayi Doublecortin family protein 0.0021 0 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0059 0.2657 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0059 0.2657 1
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Trypanosoma cruzi squalene monooxygenase, putative 0.0164 1 0.5
Trypanosoma brucei squalene monooxygenase, putative 0.0164 1 0.5
Plasmodium falciparum LCCL domain-containing protein 0.0021 0 0.5
Trypanosoma cruzi squalene monooxygenase, putative 0.0164 1 0.5
Schistosoma mansoni hypothetical protein 0.0055 0.2396 0.9017
Onchocerca volvulus 0.0021 0 0.5
Schistosoma mansoni lipoxygenase 0.0059 0.2657 1
Onchocerca volvulus 0.0021 0 0.5
Brugia malayi hypothetical protein 0.0021 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 17 ug ml-1 Clonogenic cytotoxicity against Chinese hamster V-79 cells ChEMBL. 7473575
MIC (functional) = 0.003 ug ml-1 In vitro antibacterial activity was tested for S. aureus UC-76 ChEMBL. 7473575
MIC (functional) = 0.003 ug ml-1 In vitro antibacterial activity was tested for S. pneumonia SV-1 ChEMBL. 7473575
MIC (functional) = 0.003 ug ml-1 In vitro antibacterial activity was tested for S. pyogenes C203 ChEMBL. 7473575
MIC (functional) = 0.025 ug ml-1 In vitro antibacterial activity was tested for S. aureus H228 ChEMBL. 7473575
MIC (functional) = 0.05 ug ml-1 In vitro antibacterial activity was tested for E. coli H560 ChEMBL. 7473575
MIC (functional) = 0.05 ug ml-1 In vitro antibacterial activity was tested for S. faecalis MGH-2 ChEMBL. 7473575
MIC (functional) = 0.05 ug ml-1 In vitro antibacterial activity was tested for E. coli H560 ChEMBL. 7473575
MIC (functional) = 0.1 ug ml-1 Minimum inhibitory concentration against Escherichia coli ChEMBL. 10737746
MIC (functional) = 0.1 ug ml-1 In vitro antibacterial activity was tested for E. coli Vogel ChEMBL. 7473575
MIC (functional) = 0.1 ug ml-1 Minimum inhibitory concentration against Escherichia coli ChEMBL. 10737746
MIC (functional) = 0.1 ug ml-1 In vitro antibacterial activity was tested for E. coli Vogel ChEMBL. 7473575
MIC (functional) = 0.2 ug ml-1 In vitro antibacterial activity was tested for E. cloacae HA2646 ChEMBL. 7473575
MIC (functional) = 0.2 ug ml-1 In vitro antibacterial activity was tested for K. pneumonia MGH-2 ChEMBL. 7473575
MIC (functional) = 0.2 ug ml-1 In vitro antibacterial activity was tested for P. rettgeri H1771 ChEMBL. 7473575
MIC (functional) = 1.6 ug ml-1 In vitro antibacterial activity was tested for P. aeruginosa UI-18 ChEMBL. 7473575

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

2 literature references were collected for this gene.

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