Compound Detail
CHEMBL4643248
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Basic Information
| ChEMBL ID | CHEMBL4643248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCXJYPLURGYACL-GFCCVEGCSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
2.08
ALogP
3
HBA
3
HBD
91.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.08 | 8.08 | 8.4 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 8.4 | nM | 8.08 | Inhibition of recombinant human BTK using fluoresceinated peptide as substrate a... | 30893553 |
| Tyrosine-protein kinase BTK | IC50 | = | 8.4 | nM | 8.08 | Btk Enzyme Assay: To V-bottom 384-well plates were added test compounds, human r... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 8.4 | nM | 8.08 | Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 8.4 | nM | 8.08 | Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 8.4 | nM | 8.08 | Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 8.4 | nM | 8.08 | Biological Assay: To V-bottom 384-well plates were added test compounds, human r... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30893553 | 10.1021/acs.jmedchem.9b00167 | Tyrosine-protein kinase BTK | 2 |
Data from ChEMBL 36 via Core Engine