Compound Detail
CHEMBL5590766
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Basic Information
| ChEMBL ID | CHEMBL5590766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQHYTULISHWLIS-YBEGLDIGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
414.9
MW (Da)
3.07
ALogP
8
HBA
0
HBD
84.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha amylase CHEMBL6066863 | IC50 | 7.4 | 5.9 | 39.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha amylase | IC50 | = | 39.9 | nM | 7.4 | Inhibition of alpha-amylase (unknown origin) using 1% starch as substrate preinc... | 38943875 |
| Alpha amylase | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of alpha-amylase (unknown origin) using 1% starch as substrate preinc... | 38943875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38943875 | 10.1016/j.ejmech.2024.116623 | Alpha amylase | 2 |
Data from ChEMBL 36 via Core Engine