Compound Detail
CHEMBL524686
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Basic Information
| ChEMBL ID | CHEMBL524686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBZARBVLCNFQEA-VCHYOVAHSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
3.85
ALogP
3
HBA
0
HBD
42.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.73 | 4.73 | 18590.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.59 | 4.59 | 25430.0 | 1 |
| Thymidine phosphorylase CHEMBL3726 | IC50 | 4.17 | 4.17 | 67320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 18590.0 | nM | 4.73 | Antioxidant activity assessed as xanthin/xanthin oxidase superoxide scavengeing ... | 20576329 |
| Prostaglandin G/H synthase 2 | IC50 | = | 25430.0 | nM | 4.59 | Inhibition of COX2 | 20576329 |
| Thymidine phosphorylase | IC50 | = | 67320.0 | nM | 4.17 | 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 |
| 20576329 | 10.1016/j.ejmech.2010.05.065 | Prostaglandin G/H synthase 1 | 1 |
| 20576329 | 10.1016/j.ejmech.2010.05.065 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine