Compound Detail
CHEMBL3646210
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Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C[C@H](C)O)c5)cnc(N)c34)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL3646210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKBFHTIUXUCYRQ-KRWDZBQOSA-N |
8
Targets
11
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
5.74
ALogP
7
HBA
4
HBD
118.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 8.69 | 8.69 | 2.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.66 | 8.66 | 2.2 | 2 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.25 | 8.25 | 5.6 | 2 |
| Aurora kinase B CHEMBL2185 | IC50 | 7.95 | 7.95 | 11.2 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.57 | 7.57 | 27.1 | 2 |
| Serine/threonine-protein kinase Nek2 CHEMBL3835 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.61 | 6.61 | 248.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek4 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek2 | 1 |
Data from ChEMBL 36 via Core Engine