Compound Detail
CHEMBL3647972
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Basic Information
| ChEMBL ID | CHEMBL3647972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCYQQNGYLQGVGY-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
462.9
MW (Da)
4.27
ALogP
7
HBA
1
HBD
99.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.24 | 9.24 | 0.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.58 | nM | 9.24 | In Vitro Inhibition Assay: Measurements were performed in a reaction volume of 5... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.58 | nM | 9.24 | Time-Resolved Fluorescence Resonance Energy Transfer Assay: Btk kinase activity ... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.58 | nM | 9.24 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: Btk kinase... | - |
Data from ChEMBL 36 via Core Engine