Compound Detail
CHEMBL443968
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Basic Information
| ChEMBL ID | CHEMBL443968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEFCDHVOIJJYDC-NEPJUHHUSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
1.19
ALogP
5
HBA
3
HBD
85.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | Ki | 10.18 | 10.055 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 0.066 | nM | 10.18 | Initial binding affinity to human PNP His257Gly mutant | 18778937 |
| Purine nucleoside phosphorylase | Ki | = | 0.117 | nM | 9.93 | Initial binding affinity to wild type human PNP | 18778937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18778937 | 10.1016/j.bmcl.2008.08.047 | Purine nucleoside phosphorylase | 6 |
| 18778937 | 10.1016/j.bmcl.2008.08.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine