Compound Detail
CHEMBL2159649
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Basic Information
| ChEMBL ID | CHEMBL2159649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVBFLYNBKQWDQZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.2
MW (Da)
0.08
ALogP
5
HBA
6
HBD
157.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL2935 | Kd | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Kd | = | 3.6 | nM | 8.44 | Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3... | 23040896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23040896 | 10.1016/j.bmc.2012.08.045 | Purine nucleoside phosphorylase | 2 |
Data from ChEMBL 36 via Core Engine