Compound Detail
CHEMBL4245037
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Basic Information
| ChEMBL ID | CHEMBL4245037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJSYGWOSHPTFRV-UHFFFAOYSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.68
ALogP
2
HBA
3
HBD
88.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.92 | 8.7629 | 1.2 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 1.2 | nM | 8.92 | Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain ex... | 30097367 |
| Tyrosine-protein kinase BTK | IC50 | = | 1.2 | nM | 8.92 | Btk Enzyme Assay: To V-bottom 384-well plates were added test compounds, human r... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 1.2 | nM | 8.92 | Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 1.2 | nM | 8.92 | Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 1.2 | nM | 8.92 | Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 1.2 | nM | 8.92 | Biological Assay: To V-bottom 384-well plates were added test compounds, human r... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 15.0 | nM | 7.82 | Inhibition of BTK in human Ramos cells assessed as reduction in intracellular ca... | 30097367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30097367 | 10.1016/j.bmcl.2018.07.041 | Unchecked | 3 |
| 30097367 | 10.1016/j.bmcl.2018.07.041 | Tyrosine-protein kinase BTK | 2 |
Data from ChEMBL 36 via Core Engine