Compound Detail
CHEMBL5846842
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Basic Information
| ChEMBL ID | CHEMBL5846842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNOFBZACCLKWNQ-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
499.4
MW (Da)
4.23
ALogP
2
HBA
2
HBD
79.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.7 | 9.7 | 0.2 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.2 | nM | 9.7 | Btk Enzyme Assay: To V-bottom 384-well plates were added test compounds, human r... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.2 | nM | 9.7 | Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.2 | nM | 9.7 | Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.2 | nM | 9.7 | Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.2 | nM | 9.7 | Biological Assay: To V-bottom 384-well plates were added test compounds, human r... | - |
Data from ChEMBL 36 via Core Engine