Compound Detail
CHEMBL78808
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Basic Information
| ChEMBL ID | CHEMBL78808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KODFPWIFWLGJSM-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
275.7
MW (Da)
1.88
ALogP
5
HBA
3
HBD
100.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.45
IC50 1 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL2935 | Ki | 7.45 | 7.315 | 35.6 | 2 |
| Purine nucleoside phosphorylase CHEMBL2935 | IC50 | 6.87 | 6.87 | 134.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 35.6 | nM | 7.45 | Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) us... | 10395483 |
| Purine nucleoside phosphorylase | Ki | = | 66.7 | nM | 7.18 | Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) us... | 10395483 |
| Purine nucleoside phosphorylase | IC50 | = | 134.9 | nM | 6.87 | Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) us... | 10395483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10395483 | 10.1021/jm990037y | Purine nucleoside phosphorylase | 5 |
Data from ChEMBL 36 via Core Engine