Compound Detail
CHEMBL1078685
TOPIROXOSTAT 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1078685 |
| Name | TOPIROXOSTAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UBVZQGOVTLIHLH-UHFFFAOYSA-N |
4
Targets
10
Activities
2
Assay Types
6
PK Parameters
19
Publications
2
Known Names
2
Indications
1
Mechanisms
Molecular Properties
248.2
MW (Da)
1.80
ALogP
5
HBA
1
HBD
91.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
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
Diabetic Nephropathies Hyperuricemia
Activity Summary
IC50 8 meas. best 8.32
Ki 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 8.32 | 8.076 | 4.8 | 5 |
| Unchecked CHEMBL612545 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
| Xanthine dehydrogenase/oxidase CHEMBL1929 | Ki | 8.24 | 8.24 | 5.7 | 1 |
| Xanthine dehydrogenase/oxidase CHEMBL3649 | Ki | 8.24 | 8.24 | 5.7 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| F | 69.6 | % | Rattus norvegicus |
| T1/2 | 19.7 | hr | Rattus norvegicus |
| T1/2 | 6.0 | hr | Homo sapiens |
| Tmax | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine