Compound Detail
CHEMBL479768
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O=C(Nc1ccccc1O)c1cc(C(=O)Nc2ccccc2O)cc(N2C(=O)c3ccccc3C2=O)c1
Basic Information
| ChEMBL ID | CHEMBL479768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGZOQVHPFGOQRX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
493.5
MW (Da)
4.40
ALogP
6
HBA
4
HBD
136.0
PSA (Ų)
0.24
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11500.0 | nM | 4.94 | 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 | 2 |
Data from ChEMBL 36 via Core Engine