Compound Detail
CHEMBL3261527
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Basic Information
| ChEMBL ID | CHEMBL3261527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUWOGGZUBMUZLD-ZHACJKMWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
2.65
ALogP
4
HBA
1
HBD
72.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 6.09 | 6.09 | 820.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 820.0 | nM | 6.09 | Inhibition of Wistar rat eye lens aldose reductase-2 using D-L glyceraldehyde as... | 24793885 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 820.0 | nM | 6.09 | Inhibition of Wistar rat lenses ALR2 using D,L-glyceraldehyde as substrate prein... | 25602762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24793885 | 10.1016/j.ejmech.2014.04.047 | Aldo-keto reductase family 1 member B1 | 2 |
| 25602762 | 10.1021/jm501484b | Aldo-keto reductase family 1 member B1 | 2 |
| 30858026 | 10.1016/j.bmc.2019.03.015 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine