Compound Detail
CHEMBL5287329
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Basic Information
| ChEMBL ID | CHEMBL5287329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEPQKAFKFDCXTR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
288.2
MW (Da)
2.37
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Maltase-glucoamylase CHEMBL2074 | IC50 | 4.75 | 4.745 | 18000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Maltase-glucoamylase | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of alpha-glucosidase (unknown origin) using PNPG as substrate preincu... | 30282319 |
| Maltase-glucoamylase | IC50 | = | 18300.0 | nM | 4.74 | Inhibition of alpha-glucosidase (unknown origin) using PNPG as substrate preincu... | 30282319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30282319 | 10.1016/j.ejmech.2018.07.073 | Maltase-glucoamylase | 2 |
Data from ChEMBL 36 via Core Engine