Compound Detail
CHEMBL8798
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Basic Information
| ChEMBL ID | CHEMBL8798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPQCDYYJHJOAIC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
229.2
MW (Da)
1.65
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 4.4 | 4.28 | 40000.0 | 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 | = | 40000.0 | nM | 4.4 | Inhibition of aldose reductase from rat lens. Value ranges from 25-64 | 2496229 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 70000.0 | nM | 4.16 | Inhibitory activity against aldose reductase in rat lens | 1906108 |
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