Compound Detail
CHEMBL5400940
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OC[C@H]1N[C@H]([C@H](O)C(O)CCCCCC(O)C(O)C(O)c2ccccc2)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5400940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INWGDVPRRZWBMD-QNJLJWBTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
591.6
MW (Da)
-4.01
ALogP
14
HBA
12
HBD
253.0
PSA (Ų)
0.09
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of Almond beta-glucosidase | 37125736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37125736 | 10.1021/acs.jnatprod.3c00046 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine