Compound Detail
CHEMBL5596319
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Basic Information
| ChEMBL ID | CHEMBL5596319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQSGNVRSAGFWEF-FMQUCBEESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
1.94
ALogP
7
HBA
5
HBD
170.1
PSA (Ų)
0.23
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-amylase 1A CHEMBL2478 | IC50 | 4.64 | 4.64 | 22660.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.01 | 4.01 | 96520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-amylase 1A | IC50 | = | 22660.0 | nM | 4.64 | Inhibition of human salivary alpha-amylase incubated for 10 mins by spectrophoto... | 38878516 |
| Unchecked | IC50 | = | 96520.0 | nM | 4.01 | Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glu... | 38878516 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38878516 | 10.1016/j.ejmech.2024.116589 | Alpha-amylase 1A | 2 |
| 38878516 | 10.1016/j.ejmech.2024.116589 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine