Compound Detail
CHEMBL259638
CAZPAULLONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL259638 |
| Name | CAZPAULLONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGQSIUXWCFOENX-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
2.60
ALogP
3
HBA
2
HBD
81.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 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 | 8.1 | 7.2 | 8.0 | 2 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 6.52 | 6.52 | 300.0 | 2 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 6.3 | 6.3 | 500.0 | 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 | = | 8.0 | nM | 8.1 | Inhibition of rabbit muscle GSK3beta in presence of gamma32P-ATP | 33901899 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of recombinant CDK5/p25 expressed in Escherichia coli | 18345612 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of CDK5/p25 (unknown origin) | 33901899 |
| Unchecked | IC50 | = | 500.0 | nM | 6.3 | Inhibition of starfish CDK1/cyclin B | 18345612 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 500.0 | nM | 6.3 | Inhibition of CDK1/Cyclin B (unknown origin) in presence of gamma32P-ATP by scin... | 33901899 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 500.0 | nM | 6.3 | Inhibition of CDK2/Cyclin A (unknown origin) | 33901899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18345612 | 10.1021/jm701582f | Unchecked | 11 |
| 18345612 | 10.1021/jm701582f | Molecular identity unknown | 6 |
| 18345612 | 10.1021/jm701582f | Pancreatic beta cell | 2 |
| 18345612 | 10.1021/jm701582f | Glycogen synthase kinase-3 | 1 |
| 18345612 | 10.1021/jm701582f | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Unchecked | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
Data from ChEMBL 36 via Core Engine