Compound Detail
CHEMBL5169775
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Basic Information
| ChEMBL ID | CHEMBL5169775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEOCVCRTNLETJA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
2.68
ALogP
8
HBA
2
HBD
99.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.52 | 7.375 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 3.0 | nM | 8.52 | Inhibition of BTK (unknown origin) | 35041943 |
| Tyrosine-protein kinase BTK | IC50 | = | 590.0 | nM | 6.23 | Inhibition of pBTK in human whole blood | 35041943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35041943 | 10.1016/j.bmcl.2022.128549 | Tyrosine-protein kinase BTK | 2 |
Data from ChEMBL 36 via Core Engine