Compound Detail
CHEMBL1275659
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Basic Information
| ChEMBL ID | CHEMBL1275659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXECYVBSYKBAAH-MRQALGCZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
-0.69
ALogP
6
HBA
5
HBD
114.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL5648 | Ki | 8.57 | 8.57 | 2.7 | 1 |
| Purine nucleoside phosphorylase CHEMBL4338 | Ki | 6.52 | 6.52 | 303.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 2.7 | nM | 8.57 | Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) ... | 20817362 |
| Purine nucleoside phosphorylase | Ki | = | 303.0 | nM | 6.52 | Inhibition of human PNP | 20817362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20817362 | 10.1016/j.ejmech.2010.08.026 | Purine nucleoside phosphorylase | 2 |
| 20817362 | 10.1016/j.ejmech.2010.08.026 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine