Compound Detail
CHEMBL3647966
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Basic Information
| ChEMBL ID | CHEMBL3647966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLXHRDKUVCHURW-QGZVFWFLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
3.83
ALogP
7
HBA
1
HBD
99.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.8 | 8.8 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 1.6 | nM | 8.8 | In Vitro Inhibition Assay: Measurements were performed in a reaction volume of 5... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 1.6 | nM | 8.8 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: Btk kinase... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28282122 | 10.1021/acs.jmedchem.6b01907 | Epidermal growth factor receptor | 1 |
| 28282122 | 10.1021/acs.jmedchem.6b01907 | BaF3 | 1 |
Data from ChEMBL 36 via Core Engine