Compound Detail
CHEMBL3892155
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COc1cc(OC)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(CCCN)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3892155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIBFLJLQDVDIAP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3991111 |
| Active Moiety | CHEMBL3991111 |
6
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
543.6
MW (Da)
4.54
ALogP
9
HBA
2
HBD
103.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 8.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.45 | 6.57 | 3.5 | 3 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.42 | 6.5833 | 3.8 | 3 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.7 | 7.7 | 19.9 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.42 | 6.35 | 38.0 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.32 | 5.23 | 4786.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine