Compound Detail
CHEMBL273228
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Basic Information
| ChEMBL ID | CHEMBL273228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHWGJPPIJZCZBZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.42
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 5.2 | 5.11 | 6300.0 | 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 | = | 6300.0 | nM | 5.2 | Inhibitory activity against aldose reductase in rat lens | 1906108 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of aldose reductase from rat lens. Value ranges from 6 - 14 | 2496229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2496229 | 10.1021/jm00125a017 | Aldo-keto reductase family 1 member B1 | 2 |
| 1906108 | 10.1021/jm00111a030 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine