Compound Detail
CHEMBL4091462
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Basic Information
| ChEMBL ID | CHEMBL4091462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGUYVCFPHJRIHM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
333.8
MW (Da)
3.39
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 4.9 | 4.9 | 12500.0 | 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 | = | 12500.0 | nM | 4.9 | Inhibition of Sprague-Dawley rat lens ALR2 using D,L-glyceraldehyde as substrate... | 28392277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28392277 | 10.1016/j.bmc.2017.03.056 | Aldo-keto reductase family 1 member B1 | 2 |
Data from ChEMBL 36 via Core Engine