Compound Detail
CHEMBL46163
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Basic Information
| ChEMBL ID | CHEMBL46163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJGIHDXKYQLIMA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
408.3
MW (Da)
1.50
ALogP
8
HBA
3
HBD
155.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL3081 | IC50 | 5.01 | 5.01 | 9800.0 | 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 | = | 9800.0 | nM | 5.01 | Inhibition of Aldose reductase (AR) | 11356107 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11356107 | 10.1021/jm000483h | Aldo-keto reductase family 1 member B1 | 4 |
Data from ChEMBL 36 via Core Engine