Compound Detail
CHEMBL5881184
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C#CCN(C)C/C=C/CN1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc21
Basic Information
| ChEMBL ID | CHEMBL5881184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJDVKRQPRSCAPE-AATRIKPKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
4.42
ALogP
7
HBA
0
HBD
59.2
PSA (Ų)
0.18
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytoplasmic tyrosine-protein kinase BMX CHEMBL3834 | IC50 | 6.32 | 6.32 | 479.0 | 2 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 6.19 | 6.19 | 641.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytoplasmic tyrosine-protein kinase BMX | IC50 | = | 479.0 | nM | 6.32 | In vitro Kinase Assay: Purified BMX was mixed with substrate (FAK or Bmxtides), ... | - |
| Cytoplasmic tyrosine-protein kinase BMX | IC50 | = | 479.0 | nM | 6.32 | Binding Assay: DiscoverX binding assays were performed according to published me... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 641.0 | nM | 6.19 | Binding Assay: DiscoverX binding assays were performed according to published me... | - |
Data from ChEMBL 36 via Core Engine