Compound Detail
CHEMBL432715
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Basic Information
| ChEMBL ID | CHEMBL432715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYWAFRQKAIEBNH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
404.2
MW (Da)
4.60
ALogP
2
HBA
3
HBD
77.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CaM kinase II CHEMBL2097164 | IC50 | 4.96 | 4.96 | 11100.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 4.79 | 4.79 | 16200.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 4.71 | 4.71 | 19400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CaM kinase II | IC50 | = | 11100.0 | nM | 4.96 | Inhibitory activity against Calcium/calmodulin-dependent protein kinase type II ... | 12747775 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 16200.0 | nM | 4.79 | Inhibitory activity against Cyclin-dependent kinase 4-cyclin D1 using Rb21 as su... | 12747775 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 19400.0 | nM | 4.71 | Inhibitory activity against Cyclin-dependent kinase 2-cyclin E using Rb21 as sub... | 12747775 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747775 | 10.1021/jm0256169 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 12747775 | 10.1021/jm0256169 | Cyclin-dependent kinase 2/cyclin E | 1 |
| 12747775 | 10.1021/jm0256169 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 12747775 | 10.1021/jm0256169 | CaM kinase II | 1 |
| 12747775 | 10.1021/jm0256169 | cAMP-dependent protein kinase (PKA) | 1 |
| 12747775 | 10.1021/jm0256169 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine