Compound Detail
CHEMBL4864128
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Basic Information
| ChEMBL ID | CHEMBL4864128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJRPUWJRCJRUGI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
3.47
ALogP
5
HBA
0
HBD
70.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pancreatic alpha-amylase CHEMBL5730 | IC50 | 5.78 | 5.78 | 1660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pancreatic alpha-amylase | IC50 | = | 1660.0 | nM | 5.78 | Inhibition of porcine pancreatic alpha-amylase using 1% starch as substrate prei... | 33234343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33234343 | 10.1016/j.ejmech.2020.112994 | Pancreatic alpha-amylase | 1 |
Data from ChEMBL 36 via Core Engine