Compound Detail
CHEMBL485261
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COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL485261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXXAEVMOIUAYQT-UFGFRKJLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.4
MW (Da)
0.79
ALogP
11
HBA
6
HBD
179.3
PSA (Ų)
0.32
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of aldose reductase in rat lens homogenates by fluorophotometer | 12193020 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12193020 | 10.1021/np020058m | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine