Compound Detail
CHEMBL3959345
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COc1cc(OC)cc(N(CCN2CCC(O)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3959345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISVOAPUXDBEYPJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3925286 |
| Active Moiety | CHEMBL3925286 |
6
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
3.25
ALogP
9
HBA
1
HBD
88.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.82 | 8.045 | 1.5 | 2 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.74 | 8.3575 | 1.8 | 4 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.67 | 8.67 | 2.1 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.85 | 7.85 | 14.1 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.48 | 6.95 | 33.1 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.13 | 5.13 | 7413.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine