Detailed information for compound 232446

Basic information

Technical information
  • TDR Targets ID: 232446
  • Name: 1-cyclopropyl-6-fluoro-7-[(2S,3S)-3-hydroxy-2 -methylazetidin-1-yl]-4-oxoquinoline-3-carbox ylic acid
  • MW: 332.326 | Formula: C17H17FN2O4
  • H donors: 2 H acceptors: 4 LogP: 2.35 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H]1CN([C@H]1C)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
  • InChi: 1S/C17H17FN2O4/c1-8-15(21)7-19(8)14-5-13-10(4-12(14)18)16(22)11(17(23)24)6-20(13)9-2-3-9/h4-6,8-9,15,21H,2-3,7H2,1H3,(H,23,24)/t8-,15-/m0/s1
  • InChiKey: FGMMTZVNYCHRAY-AYVTZFPOSA-N  

Network

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Synonyms

  • 1-cyclopropyl-6-fluoro-7-[(2S,3S)-3-hydroxy-2-methyl-azetidin-1-yl]-4-oxo-quinoline-3-carboxylic acid
  • 1-cyclopropyl-6-fluoro-7-[(2S,3S)-3-hydroxy-2-methyl-1-azetidinyl]-4-oxo-3-quinolinecarboxylic acid
  • 1-cyclopropyl-6-fluoro-7-[(2S,3S)-3-hydroxy-2-methyl-azetidin-1-yl]-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
Trichomonas vaginalis cyclin A, putative 0.0067 0.2008 0.1685
Entamoeba histolytica cell division protein kinase 2, putative 0.0049 0.1045 0.3552
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0049 0.1045 0.1045
Trichomonas vaginalis AGC family protein kinase 0.0213 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.1045 0.0683
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0515 0.0131
Toxoplasma gondii NIMA-related protein kinase NIMA1 0.0213 1 1
Trichomonas vaginalis cyclins, putative 0.0067 0.2008 0.1685
Echinococcus multilocularis cyclin dependent kinase 1 0.0049 0.1045 0.3552
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0049 0.1045 0.3552
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.1045 0.3552
Trichomonas vaginalis cyclins, putative 0.0039 0.0515 0.0131
Brugia malayi cell division control protein 2 homolog 0.0049 0.1045 0.3552
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0049 0.1045 0.3552
Trichomonas vaginalis cyclins, putative 0.0067 0.2008 0.1685
Trypanosoma cruzi cyclin, putative 0.0067 0.2008 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0049 0.1045 0.3552
Onchocerca volvulus 0.0067 0.2008 0.5
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0049 0.1045 0.3552
Echinococcus granulosus cyclin dependent kinase 5 0.0049 0.1045 0.3552
Loa Loa (eye worm) hypothetical protein 0.0067 0.2008 1
Giardia lamblia Kinase, CMGC CDK 0.0049 0.1045 0.0559
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.1045 0.3552
Entamoeba histolytica cyclin, putative 0.0067 0.2008 1
Trichomonas vaginalis cyclins, putative 0.0067 0.2008 0.1685
Trypanosoma cruzi CYC2-like cyclin, putative 0.0067 0.2008 1
Plasmodium vivax NIMA-related protein kinase (Pfnek-1), putative 0.0213 1 1
Echinococcus granulosus cyclin B 0.0067 0.2008 1
Trichomonas vaginalis cyclin D, putative 0.0039 0.0515 0.0131
Entamoeba histolytica cell division protein kinase 2, putative 0.0049 0.1045 0.3552
Echinococcus multilocularis cyclin dependent kinase 0.0049 0.1045 0.3552
Trichomonas vaginalis cyclin B, putative 0.0067 0.2008 0.1685
Loa Loa (eye worm) hypothetical protein 0.0067 0.2008 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0947 0.2896
Trichomonas vaginalis cyclin B, putative 0.0067 0.2008 0.1685
Trichomonas vaginalis cyclin B3, putative 0.0039 0.0515 0.0131
Brugia malayi Cyclin, N-terminal domain containing protein 0.0067 0.2008 1
Schistosoma mansoni cyclin B 0.0067 0.2008 1
Trichomonas vaginalis cyclin B, putative 0.0067 0.2008 0.1685
Trichomonas vaginalis cyclins, putative 0.0067 0.2008 0.1685
Giardia lamblia G2/mitotic-specific cyclin B 0.0067 0.2008 0.1574
Plasmodium falciparum protein kinase 5 0.0049 0.1045 0.0559
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0067 0.2008 1
Leishmania major cyclin 0.0067 0.2008 1
Trichomonas vaginalis cyclin D, putative 0.0039 0.0515 0.0131
Brugia malayi Protein kinase domain containing protein 0.0049 0.1045 0.3552
Trichomonas vaginalis STE family protein kinase 0.0213 1 1
Trypanosoma cruzi cyclin 6, putative 0.0067 0.2008 1
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.1045 0.0683
Echinococcus granulosus cyclin dependent kinase 1 0.0049 0.1045 0.3552
Echinococcus multilocularis cyclin B 0.0067 0.2008 1
Plasmodium falciparum NIMA related kinase 1 0.0213 1 1
Trypanosoma cruzi cyclin, putative 0.0067 0.2008 1
Trypanosoma brucei mitotic cyclin 6 0.0067 0.2008 1
Trichomonas vaginalis cyclin B, putative 0.0039 0.0515 0.0131
Echinococcus multilocularis cyclin dependent kinase 5 0.0049 0.1045 0.3552
Giardia lamblia Kinase, NEK 0.0213 1 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0067 0.2008 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0049 0.1045 0.3552
Giardia lamblia Kinase, NEK 0.0213 1 1
Giardia lamblia Kinase, CMGC CDK 0.0049 0.1045 0.0559
Trichomonas vaginalis cyclin B, putative 0.0067 0.2008 0.1685
Echinococcus granulosus cyclin dependent kinase 0.0049 0.1045 0.3552
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.1045 0.0683

Activities

Activity type Activity value Assay description Source Reference
Log k' (ADMET) = 0.3299 HPLC capacity factor (k') ChEMBL. 7990118
MIC (functional) = 0.015 ug ml-1 In vitro minimum inhibitory concentration for Bacillus subtilis ATCC 6633 ChEMBL. 7990118
MIC (functional) = 0.25 ug ml-1 In vitro minimum inhibitory concentration for Bacillus cereus ATCC 11778 ChEMBL. 7990118
MIC (functional) = 0.25 ug ml-1 In vitro minimum inhibitory concentration for Staphylococcus aureus ATCC 25178 ChEMBL. 7990118
MIC (functional) = 0.25 ug ml-1 In vitro minimum inhibitory concentration for Staphylococcus epidermidis ATCC 155-1 ChEMBL. 7990118
MIC (functional) = 0.25 ug ml-1 In vitro minimum inhibitory concentration for Proteus vulgaris ATCC 8427 ChEMBL. 7990118
MIC (functional) = 0.25 ug ml-1 In vitro minimum inhibitory concentration to inhibit Klebsiella pneumoniae ATCC 10031 ChEMBL. 7990118
MIC (functional) = 0.25 ug ml-1 In vitro minimum inhibitory concentration for Enterobacter cloacae ATCC 23355 ChEMBL. 7990118
MIC (functional) = 0.5 ug ml-1 In vitro minimum inhibitory concentration for Morganella morganii ATCC 8019 ChEMBL. 7990118
MIC (functional) = 0.5 ug ml-1 In vitro minimum inhibitory concentration for Escherichia coli ATCC 10799 ChEMBL. 7990118
MIC (functional) = 0.5 ug ml-1 In vitro minimum inhibitory concentration for Escherichia coli ATCC 10799 ChEMBL. 7990118
MIC (functional) = 2 ug ml-1 In vitro minimum inhibitory concentration for Streptococcus faecalis ATCC 10541 ChEMBL. 7990118
MIC (functional) = 4 ug ml-1 In vitro minimum inhibitory concentration for Pseudomonas aeruginosa ATCC 10145 ChEMBL. 7990118

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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