Compound Detail
CHEMBL3809400
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Basic Information
| ChEMBL ID | CHEMBL3809400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMUZHSQAEFAEEB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.10
ALogP
6
HBA
1
HBD
76.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase subunit B CHEMBL1921666 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase subunit B | IC50 | = | 4.0 | nM | 8.4 | Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR... | 27096044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27096044 | 10.1021/acsmedchemlett.5b00368 | Staphylococcus aureus | 1 |
| 27096044 | 10.1021/acsmedchemlett.5b00368 | DNA gyrase subunit B | 1 |
Data from ChEMBL 36 via Core Engine