Compound Detail
CHEMBL3943933
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COc1cc(OC)cc(N(CCCN2C[C@@H](C)N[C@@H](C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3943933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJENXCZIMOXLKN-OYRHEFFESA-N |
6
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
515.7
MW (Da)
4.26
ALogP
9
HBA
1
HBD
80.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 7.94 | 7.94 | 11.5 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.77 | 6.38 | 17.0 | 3 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 7.47 | 6.3667 | 33.9 | 3 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 6.73 | 6.73 | 186.2 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.63 | 5.7567 | 234.4 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.33 | 5.21 | 4677.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine