Compound Detail
CHEMBL429059
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 | CHEMBL429059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYAXJJIALDRUSQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.8
MW (Da)
0.91
ALogP
4
HBA
3
HBD
104.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 6.24 | 6.24 | 580.0 | 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 | = | 580.0 | nM | 6.24 | Inhibition of human placental aldose reductase (HPAR) activity with glyceraldehy... | 2498517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2498517 | 10.1021/jm00126a011 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine