Compound Detail
CHEMBL859
OXYPURINOL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL859 |
| Name | OXYPURINOL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | HXNFUBHNUDHIGC-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
9
Publications
3
Known Names
2
Indications
1
Mechanisms
Molecular Properties
152.1
MW (Da)
-0.24
ALogP
5
HBA
3
HBD
94.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Xanthine dehydrogenase inhibitor | INHIBITOR | Xanthine dehydrogenase/oxidase | ✓ | ✓ |
Indications
Heart Failure Anemia, Sickle Cell
Activity Summary
Ki 2 meas. best 7.46
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL1929 | Ki | 7.46 | 6.73 | 35.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | Ki | = | 35.0 | nM | 7.46 | Inhibition of human xanthine oxidase | 25060641 |
| Xanthine dehydrogenase/oxidase | Ki | = | 1000.0 | nM | 6.0 | Inhibition of oxidized form of human xanthine oxidase | 25060641 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 6 |
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 3 |
| 25060641 | 10.1021/np500320g | Xanthine dehydrogenase/oxidase | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 6094812 | 10.1021/jm00378a021 | ADMET | 1 |
| 20570524 | 10.1016/j.bmc.2010.05.009 | Purine nucleoside phosphorylase | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine