Compound Detail
CHEMBL81628
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Basic Information
| ChEMBL ID | CHEMBL81628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCKBTNLKWGVPNH-UUOKFMHZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
271.2
MW (Da)
-1.15
ALogP
9
HBA
4
HBD
156.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL2384 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 4000.0 | nM | 5.4 | In vitro inhibition of Adenosine kinase of rat brain cytosol. | 11549437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11549437 | 10.1016/s0960-894x(01)00454-1 | Adenosine kinase | 1 |
Data from ChEMBL 36 via Core Engine