Compound Detail
CHEMBL4591265
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COc1ccc(/C=C/C(=O)C2=C(/C=C/c3ccc(OC)c(O)c3)Oc3[nH]c(=O)[nH]c(=O)c3C2c2ccc(Cl)cc2)cc1O
Basic Information
| ChEMBL ID | CHEMBL4591265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGKYBPSCVDDWMR-PYEOWPDPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
601.0
MW (Da)
4.92
ALogP
8
HBA
4
HBD
150.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.01 | 4.01 | 97000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 97000.0 | nM | 4.01 | Inhibition of yeast alpha-glucosidase | 31112894 |
| Unchecked | IC50 | = | 98000.0 | nM | 4.01 | Inhibition of mouse alpha-glucosidase | 31112894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31112894 | 10.1016/j.ejmech.2019.04.025 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine