Compound Detail
CHEMBL4448326
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CCO[C@H]1[C@H](O)[C@@H](N)[C@@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O)[C@@H](O)[C@H](N)C[C@@H]2N)O[C@@H]1CO
Basic Information
| ChEMBL ID | CHEMBL4448326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAXLAXWUNVOMLK-YXNGAHLDSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
643.7
MW (Da)
-7.82
ALogP
19
HBA
12
HBD
336.3
PSA (Ų)
0.10
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.52 | 5.8267 | 30.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 30.0 | nM | 7.52 | Binding affinity to 5'-fluorescein-tagged Escherichia coli ribosomal A site wt-b... | 31610941 |
| Unchecked | Kd | = | 8600.0 | nM | 5.07 | Binding affinity to 5'-fluorescein-tagged human mitochondrial ribosome A site mu... | 31610941 |
| Unchecked | Kd | = | 12800.0 | nM | 4.89 | Binding affinity to 5'-fluorescein-tagged human mitochondrial ribosomal A site w... | 31610941 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31610941 | 10.1016/j.bmc.2019.115121 | Unchecked | 9 |
| 31610941 | 10.1016/j.bmc.2019.115121 | Bacterial 70S ribosome | 1 |
| 31610941 | 10.1016/j.bmc.2019.115121 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine