Compound Detail
CHEMBL3741742
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Basic Information
| ChEMBL ID | CHEMBL3741742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMHVOYKTJZMCEB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
3.94
ALogP
7
HBA
2
HBD
113.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase subunit B CHEMBL1921666 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase subunit B | IC50 | = | 52.0 | nM | 7.28 | Inhibition of Staphylococcus aureus Gyrase B ATPase activity by fluorescence ana... | 26487916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26487916 | 10.1021/acsmedchemlett.5b00266 | Staphylococcus aureus | 3 |
| 26487916 | 10.1021/acsmedchemlett.5b00266 | DNA gyrase subunit B | 1 |
| 26487916 | 10.1021/acsmedchemlett.5b00266 | Streptococcus pneumoniae | 1 |
| 26487916 | 10.1021/acsmedchemlett.5b00266 | Enterococcus faecium | 1 |
| 26487916 | 10.1021/acsmedchemlett.5b00266 | Enterococcus faecalis | 1 |
Data from ChEMBL 36 via Core Engine