Compound Detail
CHEMBL379811
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Basic Information
| ChEMBL ID | CHEMBL379811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXNPVMRAKCYGTB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
3.31
ALogP
8
HBA
2
HBD
103.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of Cdk5/p25 | 16616489 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of Cdk1/cyclin B | 16616489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16616489 | 10.1016/j.bmcl.2006.03.060 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 16616489 | 10.1016/j.bmcl.2006.03.060 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 16616489 | 10.1016/j.bmcl.2006.03.060 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine