Compound Detail
CHEMBL3964675
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COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CC(O)CN5CCCCC5)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3964675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFQGJTMYIGHGLT-UHFFFAOYSA-N |
6
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.7
MW (Da)
4.91
ALogP
9
HBA
1
HBD
88.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 8.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.75 | 6.6567 | 1.8 | 3 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.72 | 6.66 | 1.9 | 3 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.24 | 7.24 | 57.5 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.12 | 5.87 | 75.9 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.26 | 5.23 | 5495.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine