Compound Detail
CHEMBL545053
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Basic Information
| ChEMBL ID | CHEMBL545053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXGVWCDLVUCJKY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1193616 |
| Active Moiety | CHEMBL1193616 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.3
MW (Da)
4.21
ALogP
3
HBA
3
HBD
80.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 6.16 | 6.16 | 699.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 29.99 | nM | 7.52 | Inhibitory activity against glycogen synthase kinase-3 beta purified from insect... | 14695817 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 699.84 | nM | 6.16 | Inhibitory activity against cyclin dependent kinase 1-cyclinB extracted from M p... | 14695817 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695817 | 10.1021/jm0308904 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 14695817 | 10.1021/jm0308904 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 14695817 | 10.1021/jm0308904 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine