Compound Detail
CHEMBL479233
SUDACHITIN 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 | CHEMBL479233 |
| Name | SUDACHITIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRHHDQSPFPQKMS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.3
MW (Da)
2.60
ALogP
8
HBA
3
HBD
118.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 5.35 | 5.35 | 4466.8 | 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 | = | 4466.84 | nM | 5.35 | Inhibition of rat lens aldose reductase | 18585047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16933871 | 10.1021/np060217s | Staphylococcus aureus | 2 |
| 16933871 | 10.1021/np060217s | Helicobacter pylori | 1 |
| 18585047 | 10.1016/j.bmc.2008.06.004 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine