Compound Detail
CHEMBL5427814
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Basic Information
| ChEMBL ID | CHEMBL5427814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPDRYUSMCQVIMZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
384.6
MW (Da)
3.11
ALogP
6
HBA
2
HBD
84.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1681620 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| DNA gyrase subunit B CHEMBL1921666 | IC50 | 5.79 | 5.79 | 1620.0 | 1 |
| DNA topoisomerase 4 subunit B CHEMBL2150841 | IC50 | 4.18 | 4.18 | 66720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 350.0 | nM | 6.46 | Inhibition of Staphylococcus aureus dihydrofolate reductase using dihydrofolate ... | 38107183 |
| DNA gyrase subunit B | IC50 | = | 1620.0 | nM | 5.79 | Inhibition of Staphylococcus aureus DNA gyrase subunit B ATPase activity using r... | 38107183 |
| DNA topoisomerase 4 subunit B | IC50 | = | 66720.0 | nM | 4.18 | Inhibition of Staphylococcus aureus DNA topoisomerase 4 subunit B ATPase activit... | 38107183 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38107183 | 10.1039/d3md00508a | Salmonella typhimurium | 1 |
| 38107183 | 10.1039/d3md00508a | Fusarium oxysporum | 1 |
| 38107183 | 10.1039/d3md00508a | Saccharomyces cerevisiae | 1 |
| 38107183 | 10.1039/d3md00508a | Candida albicans | 1 |
| 38107183 | 10.1039/d3md00508a | Aspergillus flavus | 1 |
| 38107183 | 10.1039/d3md00508a | Aspergillus niger | 1 |
| 38107183 | 10.1039/d3md00508a | Dihydrofolate reductase | 1 |
| 38107183 | 10.1039/d3md00508a | DNA topoisomerase 4 subunit B | 1 |
| 38107183 | 10.1039/d3md00508a | DNA gyrase subunit B | 1 |
| 38107183 | 10.1039/d3md00508a | Bacillus subtilis | 1 |
| 38107183 | 10.1039/d3md00508a | Pseudomonas aeruginosa | 1 |
| 38107183 | 10.1039/d3md00508a | Klebsiella pneumoniae | 1 |
| 38107183 | 10.1039/d3md00508a | Escherichia coli | 1 |
| 38107183 | 10.1039/d3md00508a | Streptococcus pneumoniae | 1 |
| 38107183 | 10.1039/d3md00508a | Staphylococcus epidermidis | 1 |
| 38107183 | 10.1039/d3md00508a | Staphylococcus aureus | 1 |
| 38107183 | 10.1039/d3md00508a | Clostridioides difficile | 1 |
Data from ChEMBL 36 via Core Engine