Compound Detail
CHEMBL3647968
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Basic Information
| ChEMBL ID | CHEMBL3647968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZDZSNZQRWOSGZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
3.98
ALogP
8
HBA
1
HBD
116.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.28 | 9.2667 | 0.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.52 | nM | 9.28 | In Vitro Inhibition Assay: Measurements were performed in a reaction volume of 5... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.52 | nM | 9.28 | Time-Resolved Fluorescence Resonance Energy Transfer Assay: Btk kinase activity ... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.58 | nM | 9.24 | Inhibition of BTK (unknown origin) | 28986130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28986130 | 10.1016/j.ejmech.2017.09.024 | Tyrosine-protein kinase BTK | 1 |
Data from ChEMBL 36 via Core Engine