Compound Detail
CHEMBL81198
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Basic Information
| ChEMBL ID | CHEMBL81198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAOSZEKTJDOYRV-KQYNXXCUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
299.3
MW (Da)
-2.34
ALogP
10
HBA
5
HBD
165.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL2384 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 2.0 | nM | 8.7 | 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