Compound Detail
CHEMBL3906894
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COc1cc(OC)cc(N(CCCN2CCC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3906894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIXXSGFKMGLYQT-BDQAORGHSA-N |
| Parent Compound | CHEMBL3991229 |
| Active Moiety | CHEMBL3991229 |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
5.06
ALogP
8
HBA
0
HBD
68.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 9.23 | 8.675 | 0.6 | 2 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.77 | 8.425 | 1.7 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.76 | 8.76 | 1.7 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.4 | 6.6 | 39.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine