Compound Detail
CHEMBL83601
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Basic Information
| ChEMBL ID | CHEMBL83601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVDXOOZGKFFGDJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
151.1
MW (Da)
-0.41
ALogP
5
HBA
3
HBD
100.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL2395 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 10000.0 | nM | 5.0 | Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (P... | 8057293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057293 | 10.1021/jm00041a027 | Purine nucleoside phosphorylase | 2 |
Data from ChEMBL 36 via Core Engine