Compound Detail
CHEMBL52779
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N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(=O)O)[C@H]1[C@H](O)[C@@H](O)[C@@H](O)CN1O
Basic Information
| ChEMBL ID | CHEMBL52779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHHIULQWLVQIEP-XQZGEAEESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
-3.01
ALogP
9
HBA
8
HBD
196.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine--tRNA ligase, cytoplasmic CHEMBL3179 | IC50 | 7.67 | 7.67 | 21.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine--tRNA ligase, cytoplasmic | IC50 | = | 21.3 | nM | 7.67 | Inhibitory activity of compound against tyrosyl tRNA synthetase from Staphylococ... | 10969974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10969974 | 10.1016/s0960-894x(00)00348-6 | Tyrosine--tRNA ligase, cytoplasmic | 1 |
Data from ChEMBL 36 via Core Engine