Compound Detail
CHEMBL518960
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Basic Information
| ChEMBL ID | CHEMBL518960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORYIPKSYDCPROY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.3
MW (Da)
5.73
ALogP
4
HBA
2
HBD
84.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Staphylococcus aureus MetRS assessed as decrease in [32S]methionin... | 18590962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18590962 | 10.1016/j.bmcl.2008.06.032 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine