Compound Detail
CHEMBL5202024
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Basic Information
| ChEMBL ID | CHEMBL5202024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMOFEDMBYKMACJ-JTQLQIEISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
1.78
ALogP
5
HBA
1
HBD
64.0
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 630.0 | nM | 6.2 | Inhibition of methicillin-resistant Staphylococcus aureus ProRS expressed in Esc... | 36394909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36394909 | 10.1021/acs.jmedchem.2c01496 | Unchecked | 5 |
| 36394909 | 10.1021/acs.jmedchem.2c01496 | Staphylococcus aureus | 5 |
| 36394909 | 10.1021/acs.jmedchem.2c01496 | Escherichia coli | 1 |
| 36394909 | 10.1021/acs.jmedchem.2c01496 | Shigella flexneri | 1 |
| 36394909 | 10.1021/acs.jmedchem.2c01496 | Salmonella typhi | 1 |
Data from ChEMBL 36 via Core Engine