Compound Detail
CHEMBL3980069
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COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCNCC5)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3980069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLEJFRIKJJZQKL-UHFFFAOYSA-N |
6
Targets
11
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
515.7
MW (Da)
4.57
ALogP
9
HBA
2
HBD
89.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 9.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 9.44 | 8.795 | 0.4 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.47 | 7.08 | 3.4 | 3 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.7 | 6.3533 | 19.9 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.24 | 5.24 | 5754.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine