Compound Detail
CHEMBL405926
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Basic Information
| ChEMBL ID | CHEMBL405926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZDOJITUEXBERC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
-0.82
ALogP
5
HBA
4
HBD
105.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | Ki | 7.89 | 7.89 | 12.9 | 1 |
| Purine nucleoside phosphorylase CHEMBL2935 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Purine nucleoside phosphorylase CHEMBL5648 | Ki | 5.89 | 5.89 | 1290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 12.9 | nM | 7.89 | Inhibition of human PNP | 18251493 |
| Purine nucleoside phosphorylase | Ki | = | 16.0 | nM | 7.8 | Inhibition of bovine PNP | 18251493 |
| Purine nucleoside phosphorylase | Ki | = | 1290.0 | nM | 5.89 | Inhibition of Plasmodium falciparum PNP | 18251493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18251493 | 10.1021/jm701265n | Purine nucleoside phosphorylase | 3 |
Data from ChEMBL 36 via Core Engine