Compound Detail
CHEMBL3948321
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COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CC5CCN(C)CC5)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3948321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWWFVNOOHJHQOP-UHFFFAOYSA-N |
6
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
512.7
MW (Da)
5.40
ALogP
8
HBA
0
HBD
68.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 8.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.91 | 6.7433 | 1.2 | 3 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.8 | 6.65 | 1.6 | 3 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.5 | 8.5 | 3.2 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.33 | 7.33 | 46.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.22 | 5.92 | 60.3 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.27 | 5.23 | 5370.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine