Compound Detail
CHEMBL3945518
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Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)[nH]c2cc(F)ccc2c1=O
Basic Information
| ChEMBL ID | CHEMBL3945518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAXGBSHCWDWYEW-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
554.5
MW (Da)
4.89
ALogP
5
HBA
4
HBD
134.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.52 | 9.52 | 0.3 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.3 | nM | 9.52 | Btk Enzyme Assay: To V-bottom 384-well plates were added test compounds, human r... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.3 | nM | 9.52 | Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.3 | nM | 9.52 | Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.3 | nM | 9.52 | Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ... | - |
Data from ChEMBL 36 via Core Engine