Compound Detail
CHEMBL122243
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Basic Information
| ChEMBL ID | CHEMBL122243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGWOMXNQGSNOHL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
3.06
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.3 | 6.3 | 501.2 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 500.0 | nM | 6.3 | Inhibition of protein tyrosine kinase c-Src | 10853665 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 501.19 | nM | 6.3 | Inhibition of c-Src | 18722033 |
| Epidermal growth factor receptor | IC50 | = | 800.0 | nM | 6.1 | Inhibitory activity against epidermal growth factor receptor tyrosine kinase. | 9357527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 9357527 | 10.1021/jm970124v | Epidermal growth factor receptor | 1 |
| 9357527 | 10.1021/jm970124v | Tyrosine-protein kinase ABL1 | 1 |
| 9357527 | 10.1021/jm970124v | Protein kinase C alpha type | 1 |
| 9357527 | 10.1021/jm970124v | Balb/MK | 1 |
| 9357527 | 10.1021/jm970124v | Platelet-derived growth factor receptor | 1 |
| 18722033 | 10.1016/j.ejmech.2008.07.002 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine