Compound Detail
CHEMBL5180198
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COc1ccc(C(=O)[C@@H](c2coc3cc(O)ccc3c2=O)C(c2ccc(O)cc2)c2ccc(O)cc2)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL5180198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPUYQVKBSDIARR-LJAQVGFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
524.5
MW (Da)
5.42
ALogP
8
HBA
4
HBD
137.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranosid... | 35262352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35262352 | 10.1021/acs.jnatprod.1c00765 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine