Compound Detail
CHEMBL3646211
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COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C[C@H](O)CO)c5)cnc(N)c34)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL3646211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRTHUECZMVKNMQ-FQEVSTJZSA-N |
7
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
4.41
ALogP
9
HBA
5
HBD
147.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 8.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.91 | 8.91 | 1.2 | 2 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.87 | 8.87 | 1.3 | 2 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 8.84 | 8.84 | 1.4 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.9 | 7.9 | 12.6 | 2 |
| Aurora kinase B CHEMBL2185 | IC50 | 7.54 | 7.54 | 28.9 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.24 | 6.24 | 570.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine