Compound Detail
CHEMBL3182647
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Basic Information
| ChEMBL ID | CHEMBL3182647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYFPWWZEPKGCCK-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
4.22
ALogP
7
HBA
1
HBD
99.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytoplasmic tyrosine-protein kinase BMX CHEMBL3834 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Tyrosine-protein kinase TXK CHEMBL4367 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Tyrosine-protein kinase Tec CHEMBL4246 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytoplasmic tyrosine-protein kinase BMX | IC50 | = | 0.8 | nM | 9.1 | Lanthscreen Eu Kinase Binding Assay : Lanthscreen Eu Kinase Binding assay for BM... | - |
| Epidermal growth factor receptor | IC50 | = | 1.3 | nM | 8.89 | Measurement of EGFR Inhibitory Activity: With regard to the setting of the condi... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 1.4 | nM | 8.85 | Lanthscreen Eu Kinase Binding Assay : Lanthscreen Eu Kinase Binding assay for BM... | - |
| Tyrosine-protein kinase TXK | IC50 | = | 2.3 | nM | 8.64 | Lanthscreen Eu Kinase Binding Assay : Lanthscreen Eu Kinase Binding assay for BM... | - |
| Tyrosine-protein kinase Tec | IC50 | = | 12.0 | nM | 7.92 | Lanthscreen Eu Kinase Binding Assay : Lanthscreen Eu Kinase Binding assay for BM... | - |
Data from ChEMBL 36 via Core Engine