Compound Detail
CHEMBL491260
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Basic Information
| ChEMBL ID | CHEMBL491260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWUXZQOQUBBSNW-VXLYETTFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
3.86
ALogP
4
HBA
0
HBD
51.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine phosphorylase CHEMBL3726 | IC50 | 4.7 | 4.7 | 19770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine phosphorylase | IC50 | = | 19770.0 | nM | 4.7 | 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 | 2 |
| 19329330 | 10.1016/j.bmc.2009.03.020 | Thymidine phosphorylase | 1 |
Data from ChEMBL 36 via Core Engine