Compound Detail
CHEMBL203543
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Basic Information
| ChEMBL ID | CHEMBL203543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNHUQWLYQCWPDS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
271.7
MW (Da)
2.97
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha amylase CHEMBL6066863 | IC50 | 5.62 | 5.62 | 2410.0 | 1 |
| Alpha glucosidase CHEMBL3833502 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.4 | 5.4 | 3968.0 | 1 |
| 3C-like protease CHEMBL1293307 | IC50 | 5.0 | 5.0 | 9908.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha amylase | IC50 | = | 2410.0 | nM | 5.62 | Inhibition of alpha-amylase (unknown origin) using starch as substrate preincuba... | 31514061 |
| Alpha glucosidase | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of alpha-glucosidase (unknown origin) | 31514061 |
| Unchecked | IC50 | = | 3968.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Luminescence-based counterscreen for inhibitors of the SARS co... | - |
| 3C-like protease | IC50 | = | 9908.0 | nM | 5.0 | 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 | 3 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Bacillus subtilis | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Escherichia coli | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Pseudomonas fluorescens | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Xanthomonas campestris | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Xanthomonas oryzae | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Aspergillus niger | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Aspergillus flavus | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Fusarium oxysporum | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Trichoderma | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Fusarium verticillioides | 1 |
| 31514061 | 10.1016/j.ejmech.2019.111677 | Alpha glucosidase | 1 |
Data from ChEMBL 36 via Core Engine