Compound Detail
CHEMBL13448
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Basic Information
| ChEMBL ID | CHEMBL13448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYGTVQNSPBEEPR-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.3
MW (Da)
1.10
ALogP
7
HBA
4
HBD
147.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.36
Ki 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL2395 | IC50 | 7.36 | 6.53 | 44.0 | 2 |
| Purine nucleoside phosphorylase CHEMBL2395 | Ki | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | IC50 | = | 44.0 | nM | 7.36 | Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphat... | 8164252 |
| Purine nucleoside phosphorylase | Ki | = | 45.0 | nM | 7.35 | Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (P... | 8057293 |
| Purine nucleoside phosphorylase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phospha... | 8164252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057293 | 10.1021/jm00041a027 | Purine nucleoside phosphorylase | 2 |
| 8164252 | 10.1021/jm00034a008 | Purine nucleoside phosphorylase | 2 |
| 8164252 | 10.1021/jm00034a008 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine