Compound Detail
CHEMBL264177
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Basic Information
| ChEMBL ID | CHEMBL264177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSCLZTCYWFNGON-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.07
ALogP
3
HBA
2
HBD
92.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of GSK3alpha/beta in pig brain | 18345612 |
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Inhibition of starfish CDK1/cyclin B | 18345612 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 730.0 | nM | 6.14 | Inhibition of recombinant CDK5/p25 expressed in Escherichia coli | 18345612 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18345612 | 10.1021/jm701582f | Glycogen synthase kinase-3 | 1 |
| 18345612 | 10.1021/jm701582f | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 18345612 | 10.1021/jm701582f | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine