Compound Detail
CHEMBL334084
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Basic Information
| ChEMBL ID | CHEMBL334084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOCOMOINJCQZSQ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
346.3
MW (Da)
4.36
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.62 | 6.62 | 239.9 | 2 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 6.16 | 6.16 | 699.8 | 2 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.66 | 5.66 | 2197.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 239.88 | nM | 6.62 | Inhibitory activity against glycogen synthase kinase-3 beta purified from insect... | 14695817 |
| Glycogen synthase kinase-3 beta | IC50 | = | 240.0 | nM | 6.62 | Inhibition of GSK3-beta | 19906467 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 699.84 | nM | 6.16 | Inhibitory activity against cyclin dependent kinase 1-cyclinB extracted from M p... | 14695817 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 700.0 | nM | 6.16 | Inhibition of CDK1/cyclin B | 19906467 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 2197.86 | nM | 5.66 | Inhibitory activity against cyclin-dependent kinase 5/p25 | 14695817 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695817 | 10.1021/jm0308904 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 14695817 | 10.1021/jm0308904 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 14695817 | 10.1021/jm0308904 | Glycogen synthase kinase-3 beta | 1 |
| 19906467 | 10.1016/j.ejmech.2009.10.018 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 19906467 | 10.1016/j.ejmech.2009.10.018 | Glycogen synthase kinase-3 beta | 1 |
| 19906467 | 10.1016/j.ejmech.2009.10.018 | Malate dehydrogenase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine