Compound Detail
CHEMBL336874
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Basic Information
| ChEMBL ID | CHEMBL336874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJLGAPRLSFMKPS-GHXNOFRVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
392.2
MW (Da)
3.72
ALogP
4
HBA
1
HBD
74.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL3081 | IC50 | 7.29 | 7.29 | 51.0 | 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 | = | 51.0 | nM | 7.29 | Evaluated in vitro for the inhibition of Aldose reductase. | 9822541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9822541 | 10.1021/jm9801399 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine