Compound Detail
CHEMBL125508
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Basic Information
| ChEMBL ID | CHEMBL125508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCLMYRGFNPUWCL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
363.3
MW (Da)
1.27
ALogP
7
HBA
4
HBD
147.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | IC50 | 6.21 | 5.555 | 620.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | IC50 | = | 620.0 | nM | 6.21 | Inhibition of Purine nucleoside Phosphorylase from calf spleen at 1 mM PO4 | 8254607 |
| Purine nucleoside phosphorylase | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of Purine nucleoside Phosphorylase from calf spleen at 50 mM PO4 | 8254607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8254607 | 10.1021/jm00076a004 | Purine nucleoside phosphorylase | 3 |
Data from ChEMBL 36 via Core Engine