Compound Detail
CHEMBL161302
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N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)C1C(O)[C@]2(O)CO[C@H]([C@H]2O)N1O
Basic Information
| ChEMBL ID | CHEMBL161302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOBDOAKLPNMGKV-HBKCPIRDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.4
MW (Da)
-3.29
ALogP
10
HBA
8
HBD
206.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine--tRNA ligase, cytoplasmic CHEMBL3179 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine--tRNA ligase, cytoplasmic | IC50 | = | 2.0 | nM | 8.7 | Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) ... | 11266175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11266175 | 10.1016/s0960-894x(01)00039-7 | Tyrosine--tRNA ligase, cytoplasmic | 1 |
Data from ChEMBL 36 via Core Engine