Compound Detail
CHEMBL3921817
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COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCN)c4)nc3c2)c1.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL3921817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTLYVYRWTXLATF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3990603 |
| Active Moiety | CHEMBL3990603 |
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
4.00
ALogP
9
HBA
2
HBD
103.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 9.11 | 8.165 | 0.8 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.14 | 7.565 | 7.2 | 2 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.68 | 7.68 | 20.9 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.39 | 6.49 | 40.7 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.04 | 5.04 | 9120.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine