Compound Detail
CHEMBL490853
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 | CHEMBL490853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWBTUQBYLMTTHA-DHRITJCHSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.8
MW (Da)
5.43
ALogP
4
HBA
0
HBD
59.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.56 | 6.56 | 274.0 | 1 |
| Thymidine phosphorylase CHEMBL3726 | IC50 | 4.12 | 4.12 | 75930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 274.0 | nM | 6.56 | Antioxidant activity assessed as xanthin/xanthin oxidase superoxide scavengeing ... | 20576329 |
| Thymidine phosphorylase | IC50 | = | 75930.0 | nM | 4.12 | Inhibition of Escherichia coli thymidine phosphorylase | 19329330 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20576329 | 10.1016/j.ejmech.2010.05.065 | NON-PROTEIN TARGET | 4 |
| 19329330 | 10.1016/j.bmc.2009.03.020 | Thymidine phosphorylase | 1 |
Data from ChEMBL 36 via Core Engine