Compound Detail
CHEMBL5868849
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C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc(C(N)=O)cc5)cc4c32)ccc1C
Basic Information
| ChEMBL ID | CHEMBL5868849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWTHOUYYKYVNTG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
4.74
ALogP
5
HBA
2
HBD
107.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytoplasmic tyrosine-protein kinase BMX CHEMBL3834 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytoplasmic tyrosine-protein kinase BMX | IC50 | = | 41.0 | nM | 7.39 | Binding Assay: DiscoverX binding assays were performed according to published me... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 79.0 | nM | 7.1 | Binding Assay: DiscoverX binding assays were performed according to published me... | - |
Data from ChEMBL 36 via Core Engine