Compound Detail
CHEMBL189574
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Basic Information
| ChEMBL ID | CHEMBL189574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPYUEAKJOLIWBT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
-0.16
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 32000.0 | nM | 4.5 | Inhibitory concentration against Beta Glucosidase from Almonds | 15878273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15878273 | 10.1016/j.bmcl.2005.04.023 | Unchecked | 3 |
| 15878273 | 10.1016/j.bmcl.2005.04.023 | Alpha-glucosidase | 1 |
| 15878273 | 10.1016/j.bmcl.2005.04.023 | Glucoamylase | 1 |
| 15878273 | 10.1016/j.bmcl.2005.04.023 | Glucoamylase 1 | 1 |
| 15878273 | 10.1016/j.bmcl.2005.04.023 | Beta-glucosidase A | 1 |
| 15878273 | 10.1016/j.bmcl.2005.04.023 | Exo-1,4-beta-xylosidase xlnD | 1 |
Data from ChEMBL 36 via Core Engine