Compound Detail
CHEMBL3962814
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COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCN5CCCC5)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3962814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAWXGXHMRSTMFA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3991053 |
| Active Moiety | CHEMBL3991053 |
6
Targets
11
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
5.15
ALogP
8
HBA
0
HBD
68.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.49 | 6.5033 | 3.2 | 3 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.27 | 7.055 | 5.4 | 2 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.76 | 5.63 | 173.8 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.24 | 5.24 | 5754.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine