Compound Detail
CHEMBL124429
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 | CHEMBL124429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOEJFHLULPTTDD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
2.29
ALogP
5
HBA
3
HBD
111.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | IC50 | 7.64 | 6.485 | 23.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | IC50 | = | 23.0 | nM | 7.64 | Inhibition of Purine nucleoside Phosphorylase from calf spleen at 1 mM PO4 | 8254607 |
| Unchecked | IC50 | = | 23.0 | nM | 7.64 | Inhibition of Calf PNP | 38701712 |
| Purine nucleoside phosphorylase | IC50 | = | 4700.0 | nM | 5.33 | 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 |
| 38701712 | 10.1016/j.ejmech.2024.116437 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine