Compound Detail
CHEMBL4172284
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Basic Information
| ChEMBL ID | CHEMBL4172284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRMJEKARXQRXOY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
2.16
ALogP
5
HBA
3
HBD
123.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Cytoplasmic tyrosine-protein kinase BMX CHEMBL3834 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Tyrosine-protein kinase Tec CHEMBL4246 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 2.0 | nM | 8.7 | Inhibition of BTK (unknown origin) | 29631132 |
| Cytoplasmic tyrosine-protein kinase BMX | IC50 | = | 36.0 | nM | 7.44 | Inhibition of BMX (unknown origin) | 29631132 |
| Tyrosine-protein kinase Tec | IC50 | = | 57.0 | nM | 7.24 | Inhibition of TEC (unknown origin) | 29631132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29631132 | 10.1016/j.ejmech.2018.03.062 | Tyrosine-protein kinase Tec | 1 |
| 29631132 | 10.1016/j.ejmech.2018.03.062 | Cytoplasmic tyrosine-protein kinase BMX | 1 |
| 29631132 | 10.1016/j.ejmech.2018.03.062 | Tyrosine-protein kinase BTK | 1 |
Data from ChEMBL 36 via Core Engine