Compound Detail
CHEMBL606330
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Nc1nc(O)c2ncn(C3O[C@H](COC(=O)c4ccc(S(=O)(=O)F)cc4)[C@@H](O)[C@H]3O)c2n1
Basic Information
| ChEMBL ID | CHEMBL606330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSSYMDIMEWWFAD-FJFSNTMWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
469.4
MW (Da)
-0.75
ALogP
13
HBA
4
HBD
200.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | Ki | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 93000.0 | nM | 4.03 | PNP activity in human RBC | 8478902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8478902 | 10.1021/jm00060a010 | Purine nucleoside phosphorylase | 1 |
Data from ChEMBL 36 via Core Engine