Compound Detail
CHEMBL5086077
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Basic Information
| ChEMBL ID | CHEMBL5086077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGCUIKPUGNWBHF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
455.9
MW (Da)
3.59
ALogP
7
HBA
2
HBD
97.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.92 | 7.6 | 1.2 | 2 |
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 human BTK using fluorescein-labeled polyGAT peptide as substrate i... | 34734694 |
| Tyrosine-protein kinase BTK | IC50 | = | 520.0 | nM | 6.28 | Inhibition of BTK phosphorylation in human whole blood assessed as reduction in ... | 34734694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34734694 | 10.1021/acs.jmedchem.1c00926 | Tyrosine-protein kinase BTK | 2 |
| 34734694 | 10.1021/acs.jmedchem.1c00926 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine