Compound Detail
CHEMBL333946
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Basic Information
| ChEMBL ID | CHEMBL333946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUKSVHVNPDSCKS-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.3
MW (Da)
0.88
ALogP
7
HBA
4
HBD
147.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.46
Ki 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Purine nucleoside phosphorylase CHEMBL4338 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Purine nucleoside phosphorylase CHEMBL2215 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | IC50 | = | 35.0 | nM | 7.46 | Inhibition of Purine nucleoside Phosphorylase from calf spleen at 1 mM PO4 | 8254607 |
| Purine nucleoside phosphorylase | Ki | = | 35.0 | nM | 7.46 | Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine ... | 8230137 |
| Purine nucleoside phosphorylase | IC50 | = | 450.0 | nM | 6.35 | Inhibition of Purine nucleoside Phosphorylase from calf spleen at 50 mM PO4 | 8254607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8254607 | 10.1021/jm00076a004 | Purine nucleoside phosphorylase | 3 |
| 8230137 | 10.1021/jm00074a029 | Purine nucleoside phosphorylase | 1 |
Data from ChEMBL 36 via Core Engine