Compound Detail
CHEMBL356339
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Basic Information
| ChEMBL ID | CHEMBL356339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHRBTNYWNRPQMC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
3.64
ALogP
8
HBA
3
HBD
117.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL3589 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 23.0 | nM | 7.64 | Tested for inhibitory activity against AK in an in vitro cell-free enzyme assay | 11123986 |
| Mus musculus | IC50 | = | 920.0 | nM | 6.04 | Tested for activity in an intact cell ADO phosphorylation assay | 11123986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11123986 | 10.1021/jm000373a | Adenosine kinase | 1 |
| 11123986 | 10.1021/jm000373a | Mus musculus | 1 |
| 11123986 | 10.1021/jm000373a | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine