Compound Detail
CHEMBL329484
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Basic Information
| ChEMBL ID | CHEMBL329484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHQHEGGDORRIOJ-KRQFVHPKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
1.32
ALogP
7
HBA
3
HBD
106.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL3589 | IC50 | 6.5 | 6.5 | 320.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 320.0 | nM | 6.5 | Inhibition of recombinant human adenosine kinase | 10956197 |
| Adenosine kinase | IC50 | = | 320.0 | nM | 6.5 | Inhibitory activity against recombinant human adenosine kinase | 16302820 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956197 | 10.1021/jm0000259 | Adenosine kinase | 1 |
| 16302820 | 10.1021/jm050394a | Adenosine kinase | 1 |
Data from ChEMBL 36 via Core Engine