Compound Detail
CHEMBL134501
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Basic Information
| ChEMBL ID | CHEMBL134501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZVVOFLCHCBTMZ-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
328.2
MW (Da)
3.49
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 6 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.22 | 5.07 | 6000.0 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 5.08 | 5.08 | 8400.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of human glycogen synthase kinase-3 beta | 14698171 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of CDK5/p25 (unknown origin) | 33901899 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of human cyclin-dependent kinase 1-cyclin B | 14698171 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of CDK1/Cyclin B (unknown origin) in presence of gamma32P-ATP by scin... | 33901899 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of human Cyclin-dependent kinase 5-p35nck5a | 14698171 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of rabbit muscle GSK3beta in presence of gamma32P-ATP | 33901899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33901899 | 10.1016/j.ejmech.2021.113445 | Unchecked | 2 |
| 14698171 | 10.1016/j.bmcl.2003.10.062 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 14698171 | 10.1016/j.bmcl.2003.10.062 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 14698171 | 10.1016/j.bmcl.2003.10.062 | Glycogen synthase kinase-3 beta | 1 |
| 14698171 | 10.1016/j.bmcl.2003.10.062 | Unchecked | 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 5/CDK5 activator 1 | 1 |
Data from ChEMBL 36 via Core Engine