Compound Detail
CHEMBL138065
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Basic Information
| ChEMBL ID | CHEMBL138065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOZHFYDENDULFV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
3.05
ALogP
6
HBA
1
HBD
94.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 8.63 | 8.63 | 2.4 | 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 | = | 2.36 | nM | 8.63 | Inhibitory activity against aldose reductase enzyme | 12540241 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 2.36 | nM | 8.63 | Inhibition of ALR in Fischer-344 rat lens using D,L-glyceraldehyde as substrate ... | 32871344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12540241 | 10.1021/jm0209477 | Albumin | 12 |
| 12540241 | 10.1021/jm0209477 | Aldo-keto reductase family 1 member B1 | 5 |
| 32871344 | 10.1016/j.ejmech.2020.112742 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine