Compound Detail
CHEMBL118904
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Basic Information
| ChEMBL ID | CHEMBL118904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJCWVHPCCLIDDY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
366.8
MW (Da)
4.33
ALogP
6
HBA
2
HBD
109.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 270.0 | nM | 6.57 | Inhibitory activity against epidermal growth factor receptor tyrosine kinase. | 9357527 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 9800.0 | nM | 5.01 | Inhibitory activity against c-Src 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