Compound Detail
CHEMBL411728
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Basic Information
| ChEMBL ID | CHEMBL411728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CREZMKDQPXPVKO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
317.3
MW (Da)
3.74
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.78 | 5.78 | 1650.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of GSK3alpha/beta in pig brain | 18345612 |
| Unchecked | IC50 | = | 1650.0 | nM | 5.78 | Inhibition of starfish CDK1/cyclin B | 18345612 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of recombinant CDK5/p25 expressed in Escherichia coli | 18345612 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18345612 | 10.1021/jm701582f | Unchecked | 6 |
| 18345612 | 10.1021/jm701582f | Molecular identity unknown | 4 |
| 18345612 | 10.1021/jm701582f | Glycogen synthase kinase-3 | 1 |
| 18345612 | 10.1021/jm701582f | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
Data from ChEMBL 36 via Core Engine