Compound Detail
CHEMBL5988397
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C=CS(=O)(=O)Nc1cccc(-c2c(F)cc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)c1C
Basic Information
| ChEMBL ID | CHEMBL5988397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQZBHLFCWDFDBA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
4.65
ALogP
4
HBA
4
HBD
125.3
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.92 | 9.92 | 0.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.12 | nM | 9.92 | Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.12 | nM | 9.92 | Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.12 | nM | 9.92 | Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ... | - |
Data from ChEMBL 36 via Core Engine