Compound Detail
CHEMBL3409347
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Basic Information
| ChEMBL ID | CHEMBL3409347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIVGREAUZWTPTI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
1.70
ALogP
6
HBA
3
HBD
112.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.5 | 7.5 | 32.0 | 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 | = | 32.0 | nM | 7.5 | Inhibition of Wistar rat lenses ALR2 using D,L-glyceraldehyde as substrate prein... | 25602762 |
| Unchecked | IC50 | = | 32.0 | nM | 7.5 | Inhibition of ALR2 (unknown origin) | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25602762 | 10.1021/jm501484b | Aldo-keto reductase family 1 member B1 | 2 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Unchecked | 2 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine