Compound Detail
CHEMBL421207
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Basic Information
| ChEMBL ID | CHEMBL421207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJMSMJUUYYSKBT-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
3.17
ALogP
3
HBA
2
HBD
70.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.3 | 7.3 | 50.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.2 | 6.2 | 631.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 50.0 | nM | 7.3 | Inhibitory concentration against glycogen synthase kinase-3 alpha | 12941333 |
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of GSK3 | 17707953 |
| Unchecked | IC50 | = | 50.12 | nM | 7.3 | Inhibition of GSK3 | 17707953 |
| Cyclin-dependent kinase 2 | IC50 | = | 631.0 | nM | 6.2 | Inhibitory concentration against cyclin-dependent kinase 2 | 12941333 |
| Cyclin-dependent kinase 2 | IC50 | = | 631.0 | nM | 6.2 | Inhibition of CDK2 | 17707953 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17707953 | 10.1016/j.ejmech.2007.06.016 | Unchecked | 2 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Glycogen synthase kinase-3 alpha | 1 |
| 12941333 | 10.1016/s0960-894x(03)00646-2 | Cyclin-dependent kinase 2 | 1 |
| 17707953 | 10.1016/j.ejmech.2007.06.016 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine