Compound Detail
CHEMBL5279574
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Basic Information
| ChEMBL ID | CHEMBL5279574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATKFLTNUWIUJFF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
2.85
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 7.31 | 7.31 | 49.0 | 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 | = | 49.0 | nM | 7.31 | Inhibition of ALR in Fischer-344 rat lens using D,L-glyceraldehyde as substrate ... | 32871344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32871344 | 10.1016/j.ejmech.2020.112742 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine