Compound Detail
CHEMBL3971277
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COc1cc(OC)cc(N(CCCN2CCC(N3CCCCC3)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3971277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOPGGAOPPHWDEP-UHFFFAOYSA-N |
7
Targets
17
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
555.7
MW (Da)
5.14
ALogP
9
HBA
0
HBD
71.8
PSA (Ų)
0.27
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 17 meas. best 8.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.87 | 7.46 | 1.3 | 5 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.8 | 6.6233 | 1.6 | 3 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.17 | 8.17 | 6.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.44 | 6.3475 | 36.3 | 4 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.21 | 6.21 | 616.6 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.22 | 5.175 | 6025.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine