Compound Detail
CHEMBL4291620
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Basic Information
| ChEMBL ID | CHEMBL4291620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUAGKXQUSMJFAP-GOSISDBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
4.11
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase CHEMBL2094139 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase | IC50 | = | 170.0 | nM | 6.77 | Inhibition of Escherichia coli DNA gyrase assessed as inhibition of pUC19 superc... | 30034678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30034678 | 10.1039/C7MD00012J | Escherichia coli | 31 |
| 30034678 | 10.1039/C7MD00012J | DNA gyrase | 2 |
| 30034678 | 10.1039/C7MD00012J | Bacillus cereus | 1 |
| 30034678 | 10.1039/C7MD00012J | Unchecked | 1 |
| 30034678 | 10.1039/C7MD00012J | Streptococcus pyogenes | 1 |
| 30034678 | 10.1039/C7MD00012J | Streptococcus agalactiae | 1 |
| 30034678 | 10.1039/C7MD00012J | Staphylococcus epidermidis | 1 |
| 30034678 | 10.1039/C7MD00012J | Staphylococcus saprophyticus | 1 |
| 30034678 | 10.1039/C7MD00012J | Staphylococcus aureus | 1 |
| 30034678 | 10.1039/C7MD00012J | Enterococcus faecium | 1 |
| 30034678 | 10.1039/C7MD00012J | Enterococcus faecalis | 1 |
| 30034678 | 10.1039/C7MD00012J | Bacillus subtilis | 1 |
| 30034678 | 10.1039/C7MD00012J | Shigella flexneri | 1 |
| 30034678 | 10.1039/C7MD00012J | Salmonella typhimurium | 1 |
| 30034678 | 10.1039/C7MD00012J | Pseudomonas aeruginosa | 1 |
| 30034678 | 10.1039/C7MD00012J | Morganella morganii | 1 |
| 30034678 | 10.1039/C7MD00012J | Klebsiella pneumoniae | 1 |
| 30034678 | 10.1039/C7MD00012J | Klebsiella aerogenes | 1 |
| 30034678 | 10.1039/C7MD00012J | Edwardsiella tarda | 1 |
| 30034678 | 10.1039/C7MD00012J | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine