Compound Detail
CHEMBL5613212
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Basic Information
| ChEMBL ID | CHEMBL5613212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKHIQBWDOLLVGN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
257.2
MW (Da)
2.77
ALogP
4
HBA
1
HBD
76.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.69
Ki 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-amylase CHEMBL3308960 | IC50 | 4.69 | 4.69 | 20500.0 | 1 |
| Alpha-amylase CHEMBL3308960 | Ki | 4.38 | 4.38 | 41200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-amylase | IC50 | = | 20500.0 | nM | 4.69 | Inhibition of porcine pancreas alpha-amylase using starch as substrate preincuba... | 39291031 |
| Alpha-amylase | Ki | = | 41200.0 | nM | 4.38 | Non-competitive inhibition of porcine pancreas alpha-amylase | 39291031 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39291031 | 10.1021/acsmedchemlett.4c00190 | Alpha-amylase | 3 |
| 39291031 | 10.1021/acsmedchemlett.4c00190 | Alpha-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine