Compound Detail
CHEMBL56890
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 | CHEMBL56890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AERADEZJMNEWMZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.50
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL3081 | IC50 | 5.5 | 5.19 | 3140.0 | 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 | = | 3140.0 | nM | 5.5 | Inhibition of ALR2 (aldose reductase) of bovine lens | 10354396 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 13230.0 | nM | 4.88 | The compound was tested for Inhibitory effect against ALR1 in bovine kidneys | 10354396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10354396 | 10.1021/jm980441h | Liposome | 5 |
| 10354396 | 10.1021/jm980441h | Aldo-keto reductase family 1 member B1 | 2 |
| 10354396 | 10.1021/jm980441h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine