Compound Detail
CHEMBL1275700
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Basic Information
| ChEMBL ID | CHEMBL1275700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWJVKRZERLJSHT-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
0.02
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 4.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL5648 | Ki | 4.23 | 4.23 | 59000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 59000.0 | nM | 4.23 | Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) ... | 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 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine