Compound Detail
CHEMBL310458
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Basic Information
| ChEMBL ID | CHEMBL310458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSCXEPCBJOUADF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
2.35
ALogP
3
HBA
2
HBD
61.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL2395 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | IC50 | = | 29.0 | nM | 7.54 | Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (P... | 8057293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057293 | 10.1021/jm00041a027 | Purine nucleoside phosphorylase | 2 |
Data from ChEMBL 36 via Core Engine