Compound Detail
CHEMBL475750
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Basic Information
| ChEMBL ID | CHEMBL475750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSPTUGDLYPMLCQ-SFYZADRCSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
-1.38
ALogP
6
HBA
5
HBD
131.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | Ki | 9.8 | 9.8 | 0.2 | 1 |
| Purine nucleoside phosphorylase CHEMBL4523389 | Ki | 9.05 | 9.05 | 0.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 0.16 | nM | 9.8 | Inhibition of human His-tagged PNP assessed as inhibitor constant for enzyme-inh... | 30964283 |
| Purine nucleoside phosphorylase | Ki | = | 0.89 | nM | 9.05 | Inhibition of Plasmodium falciparum His-tagged PNP expressed in Escherichia coli... | 30964283 |
| Purine nucleoside phosphorylase | Ki | = | 0.89 | nM | 9.05 | Binding affinity to Plasmodium falciparum 3D7 PNP assessed as inhibition constan... | 38701712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30964283 | 10.1021/acs.jmedchem.9b00182 | Purine nucleoside phosphorylase | 3 |
| 38701712 | 10.1016/j.ejmech.2024.116437 | Purine nucleoside phosphorylase | 2 |
| 19170524 | 10.1021/jm801421q | Purine nucleoside phosphorylase | 1 |
| 30627387 | 10.1039/C8MD00372F | Purine nucleoside phosphorylase | 1 |
Data from ChEMBL 36 via Core Engine