Compound Detail
CHEMBL122245
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Basic Information
| ChEMBL ID | CHEMBL122245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGHAUONMJSXUDW-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
380.8
MW (Da)
4.37
ALogP
6
HBA
3
HBD
87.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.15 | 7.925 | 7.0 | 2 |
| Balb/MK CHEMBL614065 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 7.0 | nM | 8.15 | Inhibitory activity against epidermal growth factor receptor tyrosine kinase. | 9357527 |
| Epidermal growth factor receptor | IC50 | = | 20.0 | nM | 7.7 | Inhibition of EGF-stimulated tyrosine phosphorylation in A431 cells. | 9357527 |
| Balb/MK | IC50 | = | 860.0 | nM | 6.07 | Inhibition of proliferation of EGF-dependent BALB/MK cells. | 9357527 |
| Cyclin-dependent kinase 1 | IC50 | = | 5000.0 | nM | 5.3 | Inhibitory activity against CDK1 Ser/Thr kinase | 9357527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9357527 | 10.1021/jm970124v | Epidermal growth factor receptor | 2 |
| 9357527 | 10.1021/jm970124v | Tyrosine-protein kinase ABL1 | 1 |
| 9357527 | 10.1021/jm970124v | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 9357527 | 10.1021/jm970124v | Protein kinase C alpha type | 1 |
| 9357527 | 10.1021/jm970124v | Cyclin-dependent kinase 1 | 1 |
| 9357527 | 10.1021/jm970124v | Balb/MK | 1 |
| 9357527 | 10.1021/jm970124v | Platelet-derived growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine