Compound Detail
CHEMBL161043
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL161043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTHVOUBQLKCDHN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
353.7
MW (Da)
1.33
ALogP
6
HBA
1
HBD
107.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Aldo-keto reductase family 1 member A1 CHEMBL3871 | IC50 | 4.14 | 4.14 | 72000.0 | 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 | = | 12.0 | nM | 7.92 | Inhibitory activity against rat lens aldose reductase(AR). | 9057855 |
| Aldo-keto reductase family 1 member A1 | IC50 | = | 72000.0 | nM | 4.14 | In vitro inhibitory activity against rat kidney aldehyde reductase(ALR). | 9057855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9057855 | 10.1021/jm960594+ | Aldo-keto reductase family 1 member B1 | 1 |
| 9057855 | 10.1021/jm960594+ | Aldo-keto reductase family 1 member A1 | 1 |
| 9057855 | 10.1021/jm960594+ | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine