Compound Detail
CHEMBL5574890
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Basic Information
| ChEMBL ID | CHEMBL5574890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEHJHLXNTGNJHH-QPJJXVBHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.57
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sortase A CHEMBL5362 | IC50 | 6.3 | 5.675 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sortase A | IC50 | = | 500.0 | nM | 6.3 | Inhibition of Staphylococcus aureus sortase A N24 deletion mutant using Abz-LPAT... | 38170998 |
| Sortase A | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of Staphylococcus aureus Sortase A N24 deletion mutant transpeptidati... | 38170998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38170998 | 10.1021/acs.jmedchem.3c01615 | Sortase A | 2 |
| 38170998 | 10.1021/acs.jmedchem.3c01615 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine