Compound Detail
CHEMBL3949132
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COc1cc(OC)cc(N(CCCN2CCC[C@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3949132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIXXSGFKMGLYQT-VEIFNGETSA-N |
| Parent Compound | CHEMBL3990360 |
| Active Moiety | CHEMBL3990360 |
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
5.06
ALogP
8
HBA
0
HBD
68.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.85 | 8.155 | 1.4 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.67 | 8.67 | 2.1 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.64 | 8.315 | 2.3 | 2 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.2 | 6.645 | 63.1 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.12 | 5.12 | 7585.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine