Compound Detail
CHEMBL84272
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Basic Information
| ChEMBL ID | CHEMBL84272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRPOVXNOVAPPSV-UHFFFAOYSA-N |
1
Targets
9
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
0.18
ALogP
5
HBA
4
HBD
67.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas.
Ki 2 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 40000.0 | nM | 4.4 | Inhibitory activity towards Alpha-glucosidase from Baker yeast (isomaltase) | 11549453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Unchecked | 6 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Beta-galactosidase | 5 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Alpha-mannosidase | 4 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Beta-glucosidase A | 3 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Beta-glucosidase | 2 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Alpha-glucosidase | 1 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Glucoamylase | 1 |
| 11549453 | 10.1016/s0960-894x(01)00477-2 | Glucoamylase 1 | 1 |
Data from ChEMBL 36 via Core Engine