Compound Detail
CHEMBL505564
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Basic Information
| ChEMBL ID | CHEMBL505564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGATXRRSBPFSBK-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
238.2
MW (Da)
-1.31
ALogP
5
HBA
5
HBD
114.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | Ki | 9.96 | 9.245 | 0.1 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3 | hr | Mus musculus |
| T1/2 | 0.1667 | hr | Mus musculus |
| T1/2 | 600.0 | hr | Mus musculus |
| T1/2 | 600.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 0.11 | nM | 9.96 | Initial binding affinity to wild type human PNP | 18778937 |
| Purine nucleoside phosphorylase | Ki | = | 2.93 | nM | 8.53 | Initial binding affinity to human PNP His257Gly mutant | 18778937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18778937 | 10.1016/j.bmcl.2008.08.047 | Purine nucleoside phosphorylase | 6 |
| 19170524 | 10.1021/jm801421q | Mus musculus | 4 |
| 19170524 | 10.1021/jm801421q | Purine nucleoside phosphorylase | 1 |
| 18778937 | 10.1016/j.bmcl.2008.08.047 | Unchecked | 1 |
| 30627387 | 10.1039/C8MD00372F | Purine nucleoside phosphorylase | 1 |
| 38701712 | 10.1016/j.ejmech.2024.116437 | Purine nucleoside phosphorylase | 1 |
Data from ChEMBL 36 via Core Engine