Compound Detail
CHEMBL176306
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Basic Information
| ChEMBL ID | CHEMBL176306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKHSUWJLLQMPAO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
296.7
MW (Da)
3.84
ALogP
3
HBA
2
HBD
65.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against cyclin dependent kinase 1-cyclinB from starfish (Mar... | 14761195 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against Cyclin-dependent kinase 5-p35nck5a | 14761195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14761195 | 10.1021/jm031016d | Cyclin-dependent kinase 1/cyclin B | 1 |
| 14761195 | 10.1021/jm031016d | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 14761195 | 10.1021/jm031016d | Glycogen synthase kinase-3 | 1 |
Data from ChEMBL 36 via Core Engine