Compound Detail
CHEMBL82579
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CCOC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL82579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMTUVKNXDKTJOR-LTAJLKHCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
-1.42
ALogP
8
HBA
6
HBD
162.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine--tRNA ligase, cytoplasmic CHEMBL3179 | IC50 | 6.91 | 6.91 | 124.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine--tRNA ligase, cytoplasmic | IC50 | = | 124.0 | nM | 6.91 | Inhibitory activity against Bacterial Tyrosyl tRNA Synthetase | 11549455 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11549455 | 10.1016/s0960-894x(01)00475-9 | Tyrosine--tRNA ligase, cytoplasmic | 1 |
Data from ChEMBL 36 via Core Engine