Compound Detail
CHEMBL522870
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL522870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFUSATHXTREUCA-PRHODGIISA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
-0.87
ALogP
5
HBA
4
HBD
105.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | Ki | 8.74 | 8.245 | 1.8 | 2 |
| Purine nucleoside phosphorylase CHEMBL5648 | Ki | 6.58 | 6.13 | 260.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 1.82 | nM | 8.74 | Inhibition of human purine nucleoside phosphorylase by xanthine-oxidase coupled ... | 18800772 |
| Purine nucleoside phosphorylase | Ki | = | 18.0 | nM | 7.75 | Inhibition of human purine nucleoside phosphorylase assessed as slow onset inhib... | 18800772 |
| Purine nucleoside phosphorylase | Ki | = | 260.0 | nM | 6.58 | Inhibition of Plasmodium falciparum purine nucleoside phosphorylase by xanthine-... | 18800772 |
| Purine nucleoside phosphorylase | Ki | = | 2070.0 | nM | 5.68 | Inhibition of Plasmodium falciparum purine nucleoside phosphorylase assessed as ... | 18800772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18800772 | 10.1021/jm800792b | Purine nucleoside phosphorylase | 4 |
Data from ChEMBL 36 via Core Engine