Compound Detail
CHEMBL79410
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Basic Information
| ChEMBL ID | CHEMBL79410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUGHFFUUNJFXJA-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
274.7
MW (Da)
2.49
ALogP
4
HBA
3
HBD
87.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.76
Ki 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL2935 | Ki | 8.41 | 8.19 | 3.9 | 2 |
| Purine nucleoside phosphorylase CHEMBL2935 | IC50 | 7.76 | 7.26 | 17.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 3.9 | nM | 8.41 | Inhibitory activity against calf spleen Purine nucleoside phosphorylase (PNP) us... | 10395483 |
| Purine nucleoside phosphorylase | Ki | = | 10.6 | nM | 7.97 | Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) us... | 10395483 |
| Purine nucleoside phosphorylase | IC50 | = | 17.4 | nM | 7.76 | Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) us... | 10395483 |
| Purine nucleoside phosphorylase | IC50 | = | 25.0 | nM | 7.6 | Inhibition of purine nucleoside phosphorylase against the enzyme from calf splee... | 8421291 |
| Purine nucleoside phosphorylase | IC50 | = | 380.0 | nM | 6.42 | Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme f... | 8421291 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10395483 | 10.1021/jm990037y | Purine nucleoside phosphorylase | 5 |
| 8421291 | 10.1021/jm00053a008 | Purine nucleoside phosphorylase | 3 |
Data from ChEMBL 36 via Core Engine