Compound Detail
CHEMBL3752482
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COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OC)=C1c1ccc(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL3752482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABJOCPBDVGJFLG-RUZDIDTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
3.38
ALogP
8
HBA
3
HBD
122.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16.0 | nM | 7.8 | Inhibition of Saccharomyces cerevisiae alpha-Glucosidase using p-nitrophenyl-alp... | 26706176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26706176 | 10.1016/j.bmcl.2015.12.009 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine