Compound Detail
CHEMBL159640
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Basic Information
| ChEMBL ID | CHEMBL159640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYWACLHMKOAZOP-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
-0.04
ALogP
5
HBA
3
HBD
79.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.17
Ki 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL2935 | IC50 | 10.17 | 10.17 | 0.1 | 1 |
| Purine nucleoside phosphorylase CHEMBL2935 | Ki | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | IC50 | = | 0.067 | nM | 10.17 | Inhibition of purine nucleoside phosphorylase against the enzyme from calf splee... | 8421291 |
| Purine nucleoside phosphorylase | Ki | = | 15.0 | nM | 7.82 | Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme f... | 8421291 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8421291 | 10.1021/jm00053a008 | Purine nucleoside phosphorylase | 2 |
Data from ChEMBL 36 via Core Engine