Compound Detail
CHEMBL351127
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CCCCOC(=O)C(NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H]1C[C@@H](O)[C@@H](O)[C@@H](C)O1
Basic Information
| ChEMBL ID | CHEMBL351127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWLXLRSOEBDZMQ-HJYBWVNFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
-0.01
ALogP
8
HBA
5
HBD
151.3
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine--tRNA ligase, cytoplasmic CHEMBL3179 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine--tRNA ligase, cytoplasmic | IC50 | = | 3.6 | nM | 8.44 | Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) ... | 11266176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11266176 | 10.1016/s0960-894x(01)00040-3 | Tyrosine--tRNA ligase, cytoplasmic | 1 |
Data from ChEMBL 36 via Core Engine