Compound Detail
CHEMBL326919
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Basic Information
| ChEMBL ID | CHEMBL326919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQGNXKLJTGXPAE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
3.50
ALogP
3
HBA
2
HBD
65.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 550.0 | nM | 6.26 | Inhibition of porcine GSK-3-alpha/beta kinase | 15163202 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of Cyclin-dependent kinase 5-p35nck5a | 15163202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163202 | 10.1021/jm030561b | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 15163202 | 10.1021/jm030561b | Cyclin-dependent kinase 1/cyclin B | 1 |
| 15163202 | 10.1021/jm030561b | Glycogen synthase kinase-3 | 1 |
| 21802947 | 10.1016/j.bmcl.2011.07.011 | IMR-32 | 1 |
| 21802947 | 10.1016/j.bmcl.2011.07.011 | SK-N-SH | 1 |
| 21802947 | 10.1016/j.bmcl.2011.07.011 | NON-PROTEIN TARGET | 1 |
| 21802947 | 10.1016/j.bmcl.2011.07.011 | NHDF | 1 |
| 21802947 | 10.1016/j.bmcl.2011.07.011 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine