Compound Detail
CHEMBL446766
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CCCCCCCC[C@@H]1O[C@H]2[C@H](OC(=O)/C=C/c3ccc(O)c(O)c3)C[C@]3(C[C@H]2O1)O[C@H](CCCCCCCC)OC3=O
Basic Information
| ChEMBL ID | CHEMBL446766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMKHWFMCUXHSFW-UDXAMPTHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
602.8
MW (Da)
7.07
ALogP
9
HBA
2
HBD
120.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.1 | 5.925 | 800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 800.0 | nM | 6.1 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase | 18783210 |
| Unchecked | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of Bacillus stearothermophilus alpha-glucosidase | 18783210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18783210 | 10.1021/jm800621x | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine