Compound Detail
CHEMBL3918638
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[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)C([2H])([2H])C([2H])([2H])NC(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL3918638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLAHOMJCDNXHFI-RCEBUFFYSA-N |
| Parent Compound | CHEMBL3545376 |
| Active Moiety | CHEMBL3545376 |
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
4.18
ALogP
8
HBA
1
HBD
77.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 9.34 | 8.575 | 0.5 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.76 | 8.76 | 1.7 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.55 | 7.87 | 2.8 | 2 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.63 | 6.835 | 23.4 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine