Compound Detail
CHEMBL309679
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Basic Information
| ChEMBL ID | CHEMBL309679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQCPZIFPORZYES-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
1.54
ALogP
5
HBA
4
HBD
108.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.74
Ki 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL2935 | Ki | 7.5 | 7.29 | 31.8 | 2 |
| Purine nucleoside phosphorylase CHEMBL2935 | IC50 | 6.74 | 6.3367 | 182.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 31.8 | nM | 7.5 | Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) us... | 10395483 |
| Purine nucleoside phosphorylase | Ki | = | 84.0 | nM | 7.08 | Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) us... | 10395483 |
| Purine nucleoside phosphorylase | IC50 | = | 182.5 | nM | 6.74 | Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) us... | 10395483 |
| Purine nucleoside phosphorylase | IC50 | = | 270.0 | nM | 6.57 | Inhibition of purine nucleoside phosphorylase against the enzyme from calf splee... | 8421291 |
| Purine nucleoside phosphorylase | IC50 | = | 2000.0 | nM | 5.7 | 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