Compound Detail
CHEMBL2337553
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Basic Information
| ChEMBL ID | CHEMBL2337553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJAWOHTVPDBMKW-LBPRGKRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
3.23
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HTH-type transcriptional regulator MgrA CHEMBL2331056 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HTH-type transcriptional regulator MgrA | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of Staphylococcus aureus Newman His6-tagged MgrA expressed in Escheri... | 23294220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23294220 | 10.1021/jm3014635 | HTH-type transcriptional regulator MgrA | 1 |
Data from ChEMBL 36 via Core Engine