Compound Detail
CHEMBL121796
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Basic Information
| ChEMBL ID | CHEMBL121796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEXPELAOVIOQHQ-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
350.8
MW (Da)
4.31
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.52 | 8.335 | 3.0 | 2 |
| Balb/MK CHEMBL614065 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 3.0 | nM | 8.52 | Inhibition of EGF-stimulated tyrosine phosphorylation in A431 cells. | 9357527 |
| Epidermal growth factor receptor | IC50 | = | 7.0 | nM | 8.15 | Inhibitory activity against epidermal growth factor receptor tyrosine kinase. | 9357527 |
| Balb/MK | IC50 | = | 300.0 | nM | 6.52 | Inhibition of proliferation of EGF-dependent BALB/MK cells. | 9357527 |
| Tyrosine-protein kinase ABL1 | IC50 | = | 6600.0 | nM | 5.18 | Inhibitory activity against v-Abl tyrosine kinase | 9357527 |
| Cyclin-dependent kinase 1 | IC50 | = | 7400.0 | nM | 5.13 | Inhibitory activity against CDK1 Ser/Thr kinase | 9357527 |
| Protein kinase C alpha type | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against protein kinase C alpha tyrosine 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