Compound Detail
CHEMBL475584
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Basic Information
| ChEMBL ID | CHEMBL475584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUPXZZWTHIZICK-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
3.68
ALogP
7
HBA
2
HBD
89.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lyn CHEMBL3905 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.7 | 7.7 | 19.9 | 3 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lyn | IC50 | = | 0.4 | nM | 9.4 | Inhibition of Lyn (unknown origin) using Src-family kinase bisamide rhodamine 11... | 30114661 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 19.95 | nM | 7.7 | Inhibition of c-Src | 18722033 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 19.95 | nM | 7.7 | Inhibition of c-Src kinase (unknown origin) | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Src kinase (unknown origin) phosphorylation at Tyr416/419 residues... | 36324498 |
| Epidermal growth factor receptor | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human recombinant His-tagged EGFR expressed in baculovirus using p... | 36324498 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18722033 | 10.1016/j.ejmech.2008.07.002 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| - | 10.1007/s00044-012-0308-3 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 30114661 | 10.1016/j.ejmech.2018.08.023 | Tyrosine-protein kinase Lyn | 1 |
| 36324498 | 10.1039/d2md00139j | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 36324498 | 10.1039/d2md00139j | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine