Compound Detail
CHEMBL5178531
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COc1cc([C@@H]2c3c(O)cc(O)cc3[C@@H]3[C@H]2CO[C@H]3c2cc(O)c(O)c(O)c2)cc(OC)c1O
Basic Information
| ChEMBL ID | CHEMBL5178531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNFKSXAIQDLCLW-KWTWETESSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
3.55
ALogP
9
HBA
6
HBD
149.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of Bacillus stearothermophilus alpha-glucosidase type IV using p-nitr... | 35367706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35367706 | 10.1016/j.ejmech.2022.114282 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine