Detailed information for compound 57078
Basic information
Technical information
- TDR Targets ID: 57078
- Name: 1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carbo xylic acid
- MW: 294.305 | Formula: C17H14N2O3
-
H donors: 1
H acceptors: 4
LogP: 2.91
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: CCn1cc(C(=O)O)c(=O)c2c1cc(cc2)c1ccncc1
- InChi: 1S/C17H14N2O3/c1-2-19-10-14(17(21)22)16(20)13-4-3-12(9-15(13)19)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,21,22)
- InChiKey: XBPZXDSZHPDXQU-UHFFFAOYSA-N
Network
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Synonyms
- Acrosoxacin
- ROS
- Rosoxacin
- Rosoxacine [Inn-French]
- Rosoxacino [Inn-Spanish]
- 1-ethyl-4-oxo-7-(4-pyridyl)quinoline-3-carboxylic acid
- 1-ethyl-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid
- 1-ethyl-4-oxo-7-pyridin-4-yl-quinoline-3-carboxylic acid
- 1-ethyl-4-keto-7-(4-pyridyl)quinoline-3-carboxylic acid
- 40034-42-2
- AIDS-001993
- AIDS001993
- Eracine
- Eradacin
- PD 107522
- Win-35123
- NSC146617
- WIN 35213
- D02305
- Rosoxacin (USAN)
- Roxadyl (TN)
- 1-Ethyl-1,4-dihydro-4-oxo-7-(4-pyridinyl)-3-quinolinecarboxylic acid
- 1-Ethyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid
- 3-Quinolinecarboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-7-(4-pyridinyl)-
- EINECS 254-758-4
- Eradacil
- NSC 146617
- Rosoxacin [USAN:INN]
- Rosoxacinum [INN-Latin]
- Roxadyl
- Win 35,213
- Winuron
- Oprea1_128096
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Escherichia coli | DNA gyrase (type II topoisomerase), subunit A | Starlite/ChEMBL | References |
| Escherichia coli | DNA gyrase, subunit B | References |
Predicted pathogen targets for this compound
By orthology
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
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| ED50 (functional) | = 6.8 mg kg-1 | Antibacterial activity (oral efficacy) against systemic infections due to S. aureus 50774 microbial strains in mice was determined | ChEMBL. | 3114492 |
| ED50 (functional) | = 6.8 mg kg-1 | Antibacterial activity (oral efficacy) against systemic infections due to S. aureus 50774 microbial strains in mice was determined | ChEMBL. | 3114492 |
| ED50 (functional) | = 7.3 mg kg-1 | Antibacterial activity against E. coli P-5101 microbial strains in mice was determined expressed as ED50 (mg/kg) | ChEMBL. | 3114492 |
| ED50 (functional) | = 7.3 mg kg-1 | Antibacterial activity against E. coli P-5101 microbial strains in mice was determined expressed as ED50 (mg/kg) | ChEMBL. | 3114492 |
| ED50 (functional) | = 29.2 mg kg-1 | Antibacterial activity against P. aeruginosa 12 microbial strains in mice was determined expressed as ED50 (mg/kg) | ChEMBL. | 3114492 |
| ED50 (functional) | = 29.2 mg kg-1 | Antibacterial activity against P. aeruginosa 12 microbial strains in mice was determined expressed as ED50 (mg/kg) | ChEMBL. | 3114492 |
| I50 (binding) | > 10 ug ml-1 | Inhibitory concentration in supercoiling inhibition E. coli DNA gyrase assay | ChEMBL. | 3005575 |
| IC50 (binding) | > 10 ug ml-1 | Inhibitory concentration in supercoiling inhibition E. coli DNA gyrase assay | ChEMBL. | 3005575 |
| MIC (functional) | NA 0 ug ml-1 | In vitro minimum inhibitory concentration against herpes simplex virus-2 (HSV-2) by plaque-reduction assay in vero cells | ChEMBL. | 8388470 |
| MIC (functional) | = 0.125 ug ml-1 | Minimum Inhibitory concentration measured against E. coli ATCC 1-25922 | ChEMBL. | 7629792 |
| MIC (functional) | = 0.125 ug ml-1 | Minimum Inhibitory concentration measured against E. coli ATCC 1-25922 | ChEMBL. | 7629792 |
| MIC (functional) | = 0.2 ug ml-1 | Antibacterial activity against E. coli P-5101 microbial strains in mice was determined expressed as MIC | ChEMBL. | 3114492 |
| MIC (functional) | = 0.2 ug ml-1 | Antibacterial activity of the compound against Escherichia coli (H560) | ChEMBL. | 3005575 |
| MIC (functional) | = 0.2 ug ml-1 | Antibacterial activity of the compound against Escherichia coli (vogel) | ChEMBL. | 3005575 |
| MIC (functional) | = 0.2 ug ml-1 | Antibacterial activity of the compound against Escherichia coli (H560) | ChEMBL. | 3005575 |
| MIC (functional) | = 0.2 ug ml-1 | Antibacterial activity of the compound against Escherichia coli (vogel) | ChEMBL. | 3005575 |
| MIC (functional) | = 0.2 ug ml-1 | Antibacterial activity against E. coli P-5101 microbial strains in mice was determined expressed as MIC | ChEMBL. | 3114492 |
| MIC (functional) | = 0.39 ug ml-1 | Compound was tested in vitro for antibacterial activity against the microbial strain E. coli NIHJ JC-2. | ChEMBL. | 3114492 |
| MIC (functional) | = 0.39 ug ml-1 | Antibacterial activity against S. aureus 50774 microbial strains in mice was determined expressed as MIC | ChEMBL. | 3114492 |
| MIC (functional) | = 0.39 ug ml-1 | Compound was tested in vitro for antibacterial activity against the microbial strain E. coli NIHJ JC-2. | ChEMBL. | 3114492 |
| MIC (functional) | = 0.39 ug ml-1 | Antibacterial activity against S. aureus 50774 microbial strains in mice was determined expressed as MIC | ChEMBL. | 3114492 |
| MIC (functional) | = 0.4 ug ml-1 | Antibacterial activity of the compound against Klebsiella pneumonia (MGH-2) | ChEMBL. | 3005575 |
| MIC (functional) | = 0.4 ug ml-1 | Antibacterial activity of the compound against Staphylococcus aureus (H228) | ChEMBL. | 3005575 |
| MIC (functional) | = 0.4 ug ml-1 | Antibacterial activity of the compound against Klebsiella pneumonia (MGH-2) | ChEMBL. | 3005575 |
| MIC (functional) | = 0.4 ug ml-1 | Antibacterial activity of the compound against Staphylococcus aureus (H228) | ChEMBL. | 3005575 |
| MIC (functional) | = 0.5 ug ml-1 | Minimum Inhibitory concentration measured against S. aureus ATCC 29213 | ChEMBL. | 7629792 |
| MIC (functional) | = 0.78 ug ml-1 | Compound was tested in vitro for antibacterial activity against the microbial strain S. aureus 209P JC-1. | ChEMBL. | 3114492 |
| MIC (functional) | = 2.5 ug ml-1 | MIC of the compound at which cleaved DNA (linear) is observed at an intensity relative to oxolinic acid at 10 microg/mL by using Gyrase Induced DNA-Cleavage assay | ChEMBL. | 3005575 |
| MIC (functional) | = 2.5 ug ml-1 | MIC of the compound at which cleaved DNA (linear) is observed at an intensity relative to oxolinic acid at 10 microg/mL by using Gyrase Induced DNA-Cleavage assay | ChEMBL. | 3005575 |
| MIC (functional) | = 3.13 ug ml-1 | Compound was tested in vitro for antibacterial activity against the microbial strain P. aeruginosa 12. | ChEMBL. | 3114492 |
| MIC (functional) | = 3.13 ug ml-1 | Antibacterial activity against P. aeruginosa 12 microbial strains in mice was determined expressed as MIC | ChEMBL. | 3114492 |
| MIC (functional) | = 3.13 ug ml-1 | Antibacterial activity against P. aeruginosa 12 microbial strains in mice was determined expressed as MIC | ChEMBL. | 3114492 |
| MIC (functional) | = 6.3 ug ml-1 | Antibacterial activity of the compound against Pseudomonas aeruginosa (UI-18) | ChEMBL. | 3005575 |
| MIC (functional) | = 6.3 ug ml-1 | Antibacterial activity of the compound against Pseudomonas aeruginosa (UI-18) | ChEMBL. | 3005575 |
| MIC (functional) | = 8 ug ml-1 | Minimum Inhibitory concentration measured against B. fragilis ATCC 25285 | ChEMBL. | 7629792 |
| MIC (functional) | = 12.5 ug ml-1 | Antibacterial activity of the compound against Streptococcus pneumoniae (SV-1) | ChEMBL. | 3005575 |
| MIC (functional) | = 12.5 ug ml-1 | Antibacterial activity of the compound against Streptococcus pneumoniae (SV-1) | ChEMBL. | 3005575 |
| MIC (functional) | = 16 ug ml-1 | Minimum Inhibitory concentration measured against S. faecalis ATCC 29212 | ChEMBL. | 7629792 |
| MIC (functional) | = 16 ug ml-1 | Minimum Inhibitory concentration measured against S. pyogenes ATCC 6301 | ChEMBL. | 7629792 |
| MIC (functional) | = 16 ug ml-1 | Minimum Inhibitory concentration measured against P. aeruginosa ATCC 27853 | ChEMBL. | 7629792 |
| MTL (functional) | > 200 ug ml-1 | In vitro maximum tolerated level against herpes simplex virus-2 (HSV-2) by plaque-reduction assay in vero cells | ChEMBL. | 8388470 |
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.
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
- Search by CAS
- ChEMBL: CHEMBL291157
- DrugBank: DB00817
- PubChem: 287180
Bibliographic References
4 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.