Compound Detail
CHEMBL5180333
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O=C(/C=C/c1ccc(O)c([C@@H]2C(=O)c3c(O)cc(O)cc3O[C@H]2c2ccc(O)cc2)c1)c1ccc(O)cc1O
Basic Information
| ChEMBL ID | CHEMBL5180333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEWNRXFOCUQZMN-AICVNBNXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
526.5
MW (Da)
4.92
ALogP
9
HBA
6
HBD
164.8
PSA (Ų)
0.16
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2500.0 | nM | 5.6 | 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