Compound Detail
CHEMBL2000078
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CCOc1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL2000078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCPXFACDZCEIQL-UHFFFAOYSA-N |
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
631.8
MW (Da)
6.68
ALogP
10
HBA
2
HBD
105.9
PSA (Ų)
0.17
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 10 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| Serine/threonine-protein kinase 3 CHEMBL4708 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Aurora kinase B CHEMBL2185 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Focal adhesion kinase 1 CHEMBL2695 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine