Compound Detail
CHEMBL415041
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Basic Information
| ChEMBL ID | CHEMBL415041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTTXFXJKPUYGLW-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
226.2
MW (Da)
1.53
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.3
Ki 1 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL2935 | Ki | 4.61 | 4.61 | 24645.0 | 1 |
| Purine nucleoside phosphorylase CHEMBL2935 | IC50 | 4.3 | 4.3 | 49646.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 24645.0 | nM | 4.61 | Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) us... | 10395483 |
| Purine nucleoside phosphorylase | IC50 | = | 49646.0 | nM | 4.3 | Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) us... | 10395483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10395483 | 10.1021/jm990037y | Purine nucleoside phosphorylase | 3 |
| 1573639 | 10.1021/jm00086a014 | Purine nucleoside phosphorylase | 2 |
| 1573639 | 10.1021/jm00086a014 | MOLT-4 | 1 |
Data from ChEMBL 36 via Core Engine