Compound Detail
CHEMBL3343207
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3343207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUMXUJPRRHRRLP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
6.54
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase CHEMBL3038482 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in enzyme-c... | 25238555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25238555 | 10.1021/jm5010682 | Staphylococcus aureus | 1 |
| 25238555 | 10.1021/jm5010682 | DNA gyrase | 1 |
| 25238555 | 10.1021/jm5010682 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine