Compound Detail
CHEMBL163022
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C[C@H]1O[C@@H]([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)O)[C@H](O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL163022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUCHJUZRDGYEDY-HRNUQJICSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
-2.30
ALogP
8
HBA
7
HBD
182.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine--tRNA ligase, cytoplasmic CHEMBL3179 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine--tRNA ligase, cytoplasmic | IC50 | = | 4.0 | nM | 8.4 | 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