Compound Detail
CHEMBL292132
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Basic Information
| ChEMBL ID | CHEMBL292132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSXPTTGZKTYVMY-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
1.95
ALogP
5
HBA
4
HBD
113.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.83
Ki 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL2935 | Ki | 6.12 | 6.085 | 766.0 | 2 |
| Purine nucleoside phosphorylase CHEMBL2935 | IC50 | 5.83 | 5.505 | 1471.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 766.0 | nM | 6.12 | Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) us... | 10395483 |
| Purine nucleoside phosphorylase | Ki | = | 885.0 | nM | 6.05 | Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) us... | 10395483 |
| Purine nucleoside phosphorylase | IC50 | = | 1471.0 | nM | 5.83 | Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) us... | 10395483 |
| Purine nucleoside phosphorylase | IC50 | = | 6600.0 | nM | 5.18 | In vitro inhibition of purine nucleoside phosphorylase from calf spleen in 1 mM ... | 8515423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10395483 | 10.1021/jm990037y | Purine nucleoside phosphorylase | 5 |
| 8515423 | 10.1021/jm00065a007 | Purine nucleoside phosphorylase | 3 |
Data from ChEMBL 36 via Core Engine