Compound Detail
CHEMBL13130
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Basic Information
| ChEMBL ID | CHEMBL13130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKVZDTLGAPBOBY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
0.88
ALogP
6
HBA
3
HBD
121.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL2395 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Purine nucleoside phosphorylase CHEMBL4338 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 1000.0 | nM | 6.0 | Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (P... | 8057293 |
| Purine nucleoside phosphorylase | Ki | = | 1100.0 | nM | 5.96 | Inhibition of human erythrocytic PNP (purine nucleoside phosphorylase) in 1 mM p... | 8164252 |
| Unchecked | Ki | = | 21000.0 | nM | 4.68 | Inhibition of Plasmodium falciparum HGXPRT | 22178188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22178188 | 10.1016/j.bmc.2011.11.034 | Unchecked | 3 |
| 8057293 | 10.1021/jm00041a027 | Purine nucleoside phosphorylase | 2 |
| 22178188 | 10.1016/j.bmc.2011.11.034 | Hypoxanthine-guanine phosphoribosyltransferase | 2 |
| 8164252 | 10.1021/jm00034a008 | Purine nucleoside phosphorylase | 1 |
Data from ChEMBL 36 via Core Engine