Compound Detail
CHEMBL3922453
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CNC1CCN(CCCN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)C1.Cl
Basic Information
| ChEMBL ID | CHEMBL3922453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACJGNAWZBBEJBZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3991253 |
| Active Moiety | CHEMBL3991253 |
6
Targets
11
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
3.87
ALogP
9
HBA
1
HBD
80.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 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 | 7.67 | 1.4 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.65 | 8.65 | 2.2 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.51 | 6.7633 | 3.1 | 3 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.75 | 7.75 | 17.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.47 | 6.0367 | 33.9 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.19 | 5.19 | 6456.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine