Compound Detail
CHEMBL417835
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Basic Information
| ChEMBL ID | CHEMBL417835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPHFCAJQZIPYIU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
276.2
MW (Da)
1.62
ALogP
5
HBA
0
HBD
44.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 6000.0 | nM | 5.22 | Inhibitory activity against recombinant rabbit Glycogen synthase kinase-3 beta | 11881998 |
| Glycogen synthase kinase-3 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of rabbit GSK3 | 16279768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11881998 | 10.1021/jm011020u | Glycogen synthase kinase-3 beta | 1 |
| 16279768 | 10.1021/jm040895g | CaM kinase II | 1 |
| 16279768 | 10.1021/jm040895g | Glycogen synthase kinase-3 | 1 |
| 16279768 | 10.1021/jm040895g | Tyrosine-protein kinase ABL1 | 1 |
| 16279768 | 10.1021/jm040895g | Mitogen-activated protein kinase; ERK1/ERK2 | 1 |
| 16279768 | 10.1021/jm040895g | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 16279768 | 10.1021/jm040895g | Tyrosine-protein kinase Lck | 1 |
| 16279768 | 10.1021/jm040895g | Epidermal growth factor receptor | 1 |
| 16279768 | 10.1021/jm040895g | Insulin receptor | 1 |
Data from ChEMBL 36 via Core Engine