Detailed information for compound 336773

Basic information

Technical information
  • TDR Targets ID: 336773
  • Name: 7-(3-aminopyrrolidin-1-yl)-6,8-difluoro-1-[(E )-2-fluoroethenyl]-4-oxoquinoline-3-carboxyli c acid
  • MW: 353.296 | Formula: C16H14F3N3O3
  • H donors: 2 H acceptors: 3 LogP: -0.48 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: F/C=C/n1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCC(C1)N)c(c2)F
  • InChi: 1S/C16H14F3N3O3/c17-2-4-22-7-10(16(24)25)15(23)9-5-11(18)14(12(19)13(9)22)21-3-1-8(20)6-21/h2,4-5,7-8H,1,3,6,20H2,(H,24,25)/b4-2+
  • InChiKey: ZCPCVTOYQOSLQU-DUXPYHPUSA-N  

Network

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Synonyms

  • 7-(3-aminopyrrolidin-1-yl)-6,8-difluoro-1-[(E)-2-fluorovinyl]-4-oxo-quinoline-3-carboxylic acid
  • 7-(3-amino-1-pyrrolidinyl)-6,8-difluoro-1-[(E)-2-fluorovinyl]-4-oxo-3-quinolinecarboxylic acid
  • 7-(3-azanylpyrrolidin-1-yl)-6,8-difluoro-1-[(E)-2-fluoroethenyl]-4-oxo-quinoline-3-carboxylic acid
  • 7-(3-aminopyrrolidino)-6,8-difluoro-1-[(E)-2-fluorovinyl]-4-keto-quinoline-3-carboxylic acid
  • 7-(3-aminopyrrolidin-1-yl)-6,8-difluoro-1-[(E)-2-fluorovinyl]-4-keto-quinoline-3-carboxylic acid
  • 7-(3-aminopyrrolidin-1-yl)-6,8-difluoro-1-[(E)-2-fluoroethenyl]-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 Telomerase reverse transcriptase 0.571 0.7263 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0001 1
Toxoplasma gondii RNA-directed DNA polymerase 0.2146 0.2716 0.5
Schistosoma mansoni smad1 5 8 and 0.0017 0.0001 0.0217
Brugia malayi Smad1 0.0017 0.0001 0.0001
Brugia malayi MH1 domain containing protein 0.0017 0.0001 0.0001
Brugia malayi MH2 domain containing protein 0.0017 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0053 0.0046 0.1538
Echinococcus granulosus Smad4 0.0017 0.0001 1
Schistosoma mansoni hypothetical protein 0.0036 0.0025 1
Schistosoma mansoni smad1 5 8 and 0.0017 0.0001 0.0217
Loa Loa (eye worm) hypothetical protein 0.0036 0.0025 0.0826
Echinococcus multilocularis Smad4 0.0017 0.0001 1
Giardia lamblia Telomerase catalytic subunit 0.2146 0.2716 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0046 0.0063
Loa Loa (eye worm) Smad1 0.0017 0.0001 0.0018
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0046 0.1538
Schistosoma mansoni smad 0.0017 0.0001 0.0217
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0025 0.0034
Echinococcus multilocularis smad 0.0017 0.0001 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0001 0.0217
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0001 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.2146 0.2716 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0046 0.0063
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.2146 0.2716 0.5
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0001 1
Plasmodium vivax telomerase reverse transcriptase, putative 0.2146 0.2716 0.5
Brugia malayi MH2 domain containing protein 0.0251 0.0299 0.0412
Schistosoma mansoni smad1 5 8 and 0.0017 0.0001 0.0217
Plasmodium falciparum telomerase reverse transcriptase 0.2146 0.2716 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0251 0.0299 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0001 0.0018
Schistosoma mansoni Smad4 0.0017 0.0001 0.0217
Leishmania major telomerase reverse transcriptase, putative 0.2146 0.2716 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0001 0.0018
Echinococcus granulosus smad 0.0017 0.0001 1
Trypanosoma brucei telomerase reverse transcriptase 0.2146 0.2716 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0251 0.0299 1
Brugia malayi MH1 domain containing protein 0.0017 0.0001 0.0001
Brugia malayi MH2 domain containing protein 0.0017 0.0001 0.0001
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0001 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.2 ug ml-1 In vitro minimum inhibitory concentration against Escherichia coli NIHJ JC-2 ChEMBL. 15857125
MIC (functional) = 0.2 ug ml-1 In vitro minimum inhibitory concentration against Escherichia coli NIHJ JC-2 ChEMBL. 15857125
MIC (functional) = 1.56 ug ml-1 In vitro minimum inhibitory concentration against Pseudomonas aeruginosa IID1210 ChEMBL. 15857125
MIC (functional) = 3.13 ug ml-1 In vitro minimum inhibitory concentration against Staphylococcus aureus Smith ChEMBL. 15857125
MIC (functional) = 12.5 ug ml-1 In vitro minimum inhibitory concentration against Streptococcus pneumoniae type III ChEMBL. 15857125

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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