Detailed information for compound 69580

Basic information

Technical information
  • TDR Targets ID: 69580
  • Name: 6-amino-1-cyclopropyl-8-methyl-7-morpholin-4- yl-4-oxoquinoline-3-carboxylic acid
  • MW: 343.377 | Formula: C18H21N3O4
  • H donors: 2 H acceptors: 3 LogP: 1.97 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1cc2c(c(c1N1CCOCC1)C)n(cc(c2=O)C(=O)O)C1CC1
  • InChi: 1S/C18H21N3O4/c1-10-15-12(8-14(19)16(10)20-4-6-25-7-5-20)17(22)13(18(23)24)9-21(15)11-2-3-11/h8-9,11H,2-7,19H2,1H3,(H,23,24)
  • InChiKey: JGYWLMXNYDUIDE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-amino-1-cyclopropyl-8-methyl-7-morpholino-4-oxo-quinoline-3-carboxylic acid
  • 6-amino-1-cyclopropyl-8-methyl-7-morpholino-4-oxo-3-quinolinecarboxylic acid
  • 6-azanyl-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxo-quinoline-3-carboxylic acid
  • 6-amino-1-cyclopropyl-4-keto-8-methyl-7-morpholino-quinoline-3-carboxylic acid
  • 6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-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
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0267 0 0.5
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.098 1 1
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0267 0 0.5
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0348 0.1139 0.1139
Leishmania major farnesyl pyrophosphate synthase 0.098 1 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.098 1 1
Giardia lamblia Farnesyl diphosphate synthase 0.098 1 0.5
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0267 0 0.5
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0348 0.1139 0.1139
Loa Loa (eye worm) polyprenyl synthetase 0.098 1 1
Trypanosoma cruzi polyprenyl synthase, putative 0.0348 0.1139 0.1139
Leishmania major polyprenyl synthase, putative 0.0348 0.1139 0.1139
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.098 1 1
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.098 1 1
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.098 1 1
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0348 0.1139 0.1139
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0267 0 0.5
Trypanosoma cruzi polyprenyl synthase, putative 0.0348 0.1139 0.1139
Schistosoma mansoni farnesyl pyrophosphate synthase 0.098 1 1
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0267 0 0.5
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0348 0.1139 0.1139
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0267 0 0.5
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.098 1 0.5
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0348 0.1139 0.1139
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.098 1 0.5
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.098 1 1
Treponema pallidum octaprenyl-diphosphate synthase 0.0348 0.1139 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.098 1 1
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.098 1 1
Echinococcus granulosus farnesyl pyrophosphate synthase 0.098 1 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0267 0 0.5
Trypanosoma brucei farnesyl pyrophosphate synthase 0.098 1 1
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.098 1 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.098 1 0.5

Activities

Activity type Activity value Assay description Source Reference
cLogP (ADMET) = 0.951 CLogP of the compound was calculated ChEMBL. 8558512
Geometric mean (functional) = 0.189 Geometric mean of antibacterial activity (Gram -ve bacteria) of the compound ChEMBL. 8558512
Geometric mean (functional) = 0.218 Geometric mean of antibacterial activity (Gram +ve bacteria) of the compound ChEMBL. 8558512
IC50 (functional) = 5.64 ug ml-1 Inhibitory activity of the compound was tested against gyrase supercoiling activity from E. coli ChEMBL. 8558512
IC50 (functional) = 5.64 ug ml-1 Inhibitory activity of the compound was tested against gyrase supercoiling activity from E. coli ChEMBL. 8558512
ln MIC (functional) = 7 Antibacterial activity against Pseudomonas aeruginosa ATCC 9027(Gram negative) strain. ChEMBL. 9171879
ln MIC (functional) = 7 Antibacterial activity against Streptococcus faecalis LEP Br (Gram positive) strain. ChEMBL. 9171879
ln MIC (functional) = 8 Antibacterial activity against Providencia stuartii CNUR 5(Gram negative) strain. ChEMBL. 9171879
ln MIC (functional) = 9 The compound was tested in vitro for antibacterial activity against Staphylococcus epidermidis CPHL A2 (Gram positive) strain ChEMBL. 9171879
ln MIC (functional) = 10 Antibacterial activity against Enterobacter cloacae OMNFI 174 (Gram negative) strain. ChEMBL. 9171879
ln MIC (functional) = 10 Antibacterial activity against Shigella enteritidis (Gram negative) strain. ChEMBL. 9171879
ln MIC (functional) = 10 Antibacterial activity against Staphylococcus aureus MPR 5 (Gram positive) strain. ChEMBL. 9171879
ln MIC (functional) = 10 Antibacterial activity against Staphylococcus aureus ATCC 6538 (Gram positive) strain. ChEMBL. 9171879
ln MIC (functional) = 10 Antibacterial activity against Staphylococcus epidermidis HCF Berset C (Gram positive) strain. ChEMBL. 9171879
ln MIC (functional) = 12 Antibacterial activity against Escherichia coli ATCC 8739(Gram negative) strain. ChEMBL. 9171879
ln MIC (functional) = 12 Antibacterial activity against Escherichia coli ISF 432(Gram negative) strain. ChEMBL. 9171879
ln MIC (functional) = 12 Antibacterial activity against Klebsiella pneumoniae ATCC 10031 (Gram negative) strain. ChEMBL. 9171879
Log2 MIC (functional) = 12 Antibacterial activity against Escherichia coli ATCC 8739(Gram negative) strain. ChEMBL. 9171879
Log2 MIC (functional) = 12 Antibacterial activity against Escherichia coli ISF 432(Gram negative) strain. ChEMBL. 9171879
MIC (functional) = 0.03 ug ml-1 Antibacterial activity of the compound tested against E. coli ATCC 8739 ChEMBL. 8558512
MIC (functional) = 0.03 ug ml-1 Antibacterial activity of the compound tested against E. coli ISF 432 ChEMBL. 8558512
MIC (functional) = 0.03 ug ml-1 Antibacterial activity of the compound tested against K. pneumoniae (Klebsiella pneumoniae) ATCC10031 ChEMBL. 8558512
MIC (functional) = 0.03 ug ml-1 Antibacterial activity of the compound tested against E. coli ATCC 8739 ChEMBL. 8558512
MIC (functional) = 0.03 ug ml-1 Antibacterial activity of the compound tested against E. coli ISF 432 ChEMBL. 8558512
MIC (functional) = 0.06 ug ml-1 Antibacterial activity of the compound tested against Staphylococcus aureus; Range is 0.06-0.13 ug/mL ChEMBL. 8558512
MIC (functional) = 0.125 ug ml-1 Antibacterial activity of the compound tested against Enterobacter cloacae OMNFI 174 ChEMBL. 8558512
MIC (functional) = 0.125 ug ml-1 Antibacterial activity tested against Shigella enteritidis ChEMBL. 8558512
MIC (functional) = 0.125 ug ml-1 Antibacterial activity against Staphylococcus aureus MPR 5 ChEMBL. 8558512
MIC (functional) = 0.125 ug ml-1 Antibacterial activity against Staphylococcus aureus ATCC6538 ChEMBL. 8558512
MIC (functional) = 0.125 ug ml-1 Antibacterial activity tested against Staphylococcus epidermidis HCF Berset C ChEMBL. 8558512
MIC (functional) = 0.25 ug ml-1 Antibacterial activity tested against Staphylococcus epidermidis CPHL A2 ChEMBL. 8558512
MIC (functional) = 0.25 ug ml-1 Antibacterial activity of the compound tested against Enterococcus faecalis; Range is 0.25-0.5 ug/mL ChEMBL. 8558512
MIC (functional) = 0.5 ug ml-1 Antibacterial activity tested against Providencia stuartii CNUR 5 ChEMBL. 8558512
MIC (functional) = 0.5 ug ml-1 Antibacterial activity of the compound tested against Enterococcus faecium; Range is 0.5-2 ug/mL ChEMBL. 8558512
MIC (functional) = 1 ug ml-1 Antibacterial activity of the compound tested against P. ae (Pseudomonas aeruginosa) ATCC 9027 ChEMBL. 8558512
MIC (functional) = 1 ug ml-1 Antibacterial activity tested against Streptococcus faecalis LEP Br ChEMBL. 8558512
MIC (functional) = 1 ug ml-1 Antibacterial activity of the compound tested against Streptococcus pneumoniae; Range is 1-2 ug/mL ChEMBL. 8558512
MIC (functional) = 4 ug ml-1 Antibacterial activity of the compound tested against Staphylococcus aureus Methicillin-and Ciprofloxacin resistants; Range is 4-8 ug/mL ChEMBL. 8558512
MIC (functional) = 8 ug ml-1 Antibacterial activity tested against Proteus vulgaris CNUR 5 ChEMBL. 8558512

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Escherichia coli ChEMBL23 8558512

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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