Compound Detail
CHEMBL5597113
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5597113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITKIQAQCPSIYRE-GHVJWSGMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
3.36
ALogP
8
HBA
3
HBD
146.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.86 | 5.86 | 1390.0 | 1 |
| Alpha-amylase 1A CHEMBL2478 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1390.0 | nM | 5.86 | Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glu... | 38878516 |
| Alpha-amylase 1A | IC50 | = | 1550.0 | nM | 5.81 | Inhibition of human salivary alpha-amylase incubated for 10 mins by spectrophoto... | 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