Compound Detail
CHEMBL63803
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
Basic Information
| ChEMBL ID | CHEMBL63803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKHRMFAGIBQWDR-LSHDLFTRSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
2.98
ALogP
8
HBA
2
HBD
97.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Kd 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Kd | 5.92 | 5.92 | 1210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 100.0 | nM | 7.0 | Ability to inhibit 50% glycogen synthase kinase-3 beta of recombinant human, exp... | 15080992 |
| Glycogen synthase kinase-3 alpha | IC50 | = | 100.0 | nM | 7.0 | Inhibition of recombinant human GSKalpha | 35859869 |
| Adenosine receptor A1 | Kd | = | 1210.0 | nM | 5.92 | Binding affinity to human wild type adenosine A1 receptor expressed in Expi293F ... | 35859869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35859869 | 10.1021/acsmedchemlett.2c00099 | Adenosine receptor A2a | 5 |
| 35859869 | 10.1021/acsmedchemlett.2c00099 | Adenosine receptor A1 | 3 |
| 35859869 | 10.1021/acsmedchemlett.2c00099 | Adenosine receptor A3 | 3 |
| 15080992 | 10.1016/j.bmcl.2004.02.036 | Glycogen synthase kinase-3 beta | 1 |
| 35859869 | 10.1021/acsmedchemlett.2c00099 | Glycogen synthase kinase-3 alpha | 1 |
| 35859869 | 10.1021/acsmedchemlett.2c00099 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine