Compound Detail
CHEMBL3409366
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Basic Information
| ChEMBL ID | CHEMBL3409366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMFLCQBSTXRDCH-JXMROGBWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
322.3
MW (Da)
2.36
ALogP
5
HBA
2
HBD
92.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 6.74 | 6.74 | 182.0 | 2 |
| No relevant target CHEMBL2362975 | IC50 | 4.29 | 4.29 | 51500.0 | 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 | = | 182.0 | nM | 6.74 | Inhibition of Wistar rat lenses ALR2 using D,L-glyceraldehyde as substrate prein... | 25602762 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 182.0 | nM | 6.74 | Inhibition of Wistar rat lens ALR2 using L-glyceraldehyde as substrate preincuba... | 30858026 |
| No relevant target | IC50 | = | 51500.0 | nM | 4.29 | Antioxidant activity assessed as DPPH scavenging activity after 30 mins by UV sp... | 25602762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25602762 | 10.1021/jm501484b | Aldo-keto reductase family 1 member B1 | 2 |
| 25602762 | 10.1021/jm501484b | No relevant target | 2 |
| 25602762 | 10.1021/jm501484b | Brain | 1 |
| 30858026 | 10.1016/j.bmc.2019.03.015 | Aldo-keto reductase family 1 member B1 | 1 |
| 30858026 | 10.1016/j.bmc.2019.03.015 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine