Compound Detail
CHEMBL5183867
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CCCCCCCCCCCCCCCC1=C(O)C(=O)C2=C(Oc3cc(O)c4c(c3C2(C)C)O[C@@H](c2ccc(O)c(O)c2)[C@H](O)C4)C1=O
Basic Information
| ChEMBL ID | CHEMBL5183867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBJBEIJDOJNLGH-ZADIWHOSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
662.8
MW (Da)
8.21
ALogP
9
HBA
5
HBD
153.8
PSA (Ų)
0.07
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | 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