Compound Detail
CHEMBL407776
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Basic Information
| ChEMBL ID | CHEMBL407776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYJBQFBSERVXHQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
-0.96
ALogP
5
HBA
4
HBD
105.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | Ki | 9.64 | 9.64 | 0.2 | 2 |
| Purine nucleoside phosphorylase CHEMBL2935 | Ki | 9.63 | 9.63 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 0.229 | nM | 9.64 | Inhibition of human PNP | 18251493 |
| Purine nucleoside phosphorylase | Ki | = | 0.229 | nM | 9.64 | Inhibition of human PNP by xanthine-oxidase coupled assay | 19170524 |
| Purine nucleoside phosphorylase | Ki | = | 0.236 | nM | 9.63 | Inhibition of bovine PNP | 18251493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18251493 | 10.1021/jm701265n | Purine nucleoside phosphorylase | 3 |
| 19170524 | 10.1021/jm801421q | Purine nucleoside phosphorylase | 1 |
Data from ChEMBL 36 via Core Engine