Compound Detail
CHEMBL151079
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)c1ccc(-c2c(-c3ccc(N(C)C)cc3)nc3ncnc(N)c3c2-c2ccc(C(C)C)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL151079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRMDQDPTBZOBAD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
501.7
MW (Da)
7.92
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL2384 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 6.7 | nM | 8.17 | Inhibition adenosine kinase activity in rat brain in vitro | 14613327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14613327 | 10.1021/jm030327l | Adenosine kinase | 2 |
Data from ChEMBL 36 via Core Engine