Compound Detail
CHEMBL6013380
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C=CC(=O)NCc1cc2c(-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)nc(N)nc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL6013380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWIPLSWAHXUARM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
3.82
ALogP
7
HBA
4
HBD
138.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 55.0 | nM | 7.26 | Inhibition Activity Assay: The kinase activity was measured using QuickScout Scr... | - |
Data from ChEMBL 36 via Core Engine