Compound Detail
CHEMBL1450675
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Basic Information
| ChEMBL ID | CHEMBL1450675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGUSWIHOGHPDPF-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
316.2
MW (Da)
3.08
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.64 | 5.64 | 2296.0 | 1 |
| Alpha amylase CHEMBL6066863 | IC50 | 5.56 | 5.56 | 2760.0 | 1 |
| Alpha glucosidase CHEMBL3833502 | IC50 | 5.55 | 5.55 | 2790.0 | 1 |
| 3C-like protease CHEMBL1293307 | IC50 | 5.4 | 5.4 | 4013.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2296.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Luminescence-based counterscreen for inhibitors of the SARS co... | - |
| Alpha amylase | IC50 | = | 2760.0 | nM | 5.56 | Inhibition of alpha-amylase (unknown origin) using starch as substrate preincuba... | 31514061 |
| Alpha glucosidase | IC50 | = | 2790.0 | nM | 5.55 | Inhibition of alpha-glucosidase (unknown origin) | 31514061 |
| 3C-like protease | IC50 | = | 4013.0 | nM | 5.4 | PUBCHEM_BIOASSAY: QFRET-based dose response biochemical high throughput screenin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31514061 | 10.1016/j.ejmech.2019.111677 | Alpha amylase | 1 |
| 31514061 | 10.1016/j.ejmech.2019.111677 | Alpha glucosidase | 1 |
Data from ChEMBL 36 via Core Engine