Compound Detail
CHEMBL4290115
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Basic Information
| ChEMBL ID | CHEMBL4290115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEWXMJDHTMTAHO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.3
MW (Da)
3.81
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pancreatic alpha-amylase CHEMBL5730 | IC50 | 5.57 | 5.57 | 2670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pancreatic alpha-amylase | IC50 | = | 2670.0 | nM | 5.57 | Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincu... | 29102178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29102178 | 10.1016/j.ejmech.2017.10.028 | Pancreatic alpha-amylase | 1 |
Data from ChEMBL 36 via Core Engine