Compound Detail
CHEMBL475537
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Basic Information
| ChEMBL ID | CHEMBL475537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGYSFECPLYEOMH-HTQZYQBOSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
-1.95
ALogP
6
HBA
6
HBD
134.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.26
Ki 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL5648 | Kd | 7.26 | 7.26 | 55.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Kd | = | 55.0 | nM | 7.26 | Inhibition Assay: The inhibitor dissociation constants reported in Table 1 below... | - |
| Purine nucleoside phosphorylase | Kd | = | 55.0 | nM | 7.26 | Binding affinity to Plasmodium falciparum His6-tagged PNP assessed as reduction ... | 30964283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19170524 | 10.1021/jm801421q | Purine nucleoside phosphorylase | 1 |
| 30964283 | 10.1021/acs.jmedchem.9b00182 | Purine nucleoside phosphorylase | 1 |
| 38701712 | 10.1016/j.ejmech.2024.116437 | Purine nucleoside phosphorylase | 1 |
Data from ChEMBL 36 via Core Engine