Compound Detail
CHEMBL293157
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Basic Information
| ChEMBL ID | CHEMBL293157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHOKPCNUYFDUDO-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
343.3
MW (Da)
3.98
ALogP
2
HBA
3
HBD
77.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CaM kinase II CHEMBL2097164 | IC50 | 7.04 | 7.04 | 92.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 6.99 | 6.99 | 103.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 6.85 | 6.85 | 141.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.45 | 5.45 | 3530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CaM kinase II | IC50 | = | 92.0 | nM | 7.04 | Inhibitory activity against Calcium/calmodulin-dependent protein kinase type II ... | 12747775 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 103.0 | nM | 6.99 | Inhibitory activity against Cyclin-dependent kinase 4-cyclin D1 using Rb21 as su... | 12747775 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 141.0 | nM | 6.85 | Inhibitory activity against Cyclin-dependent kinase 2-cyclin E using Rb21 as sub... | 12747775 |
| NCI-H460 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of cell growth of NCI-H460 tumor cell lines | 12747775 |
| HCT-116 | IC50 | = | 3530.0 | nM | 5.45 | Inhibition of cell growth of HCT116 tumor cell lines | 12747775 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747775 | 10.1021/jm0256169 | Cyclin-dependent kinase 4 | 2 |
| 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 | CaM kinase II | 1 |
| 12747775 | 10.1021/jm0256169 | cAMP-dependent protein kinase (PKA) | 1 |
| 12747775 | 10.1021/jm0256169 | HCT-116 | 1 |
| 12747775 | 10.1021/jm0256169 | NCI-H460 | 1 |
| 12747775 | 10.1021/jm0256169 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine