Compound Detail
CHEMBL3896249
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COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3896249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXWYSUDYIQPVOJ-UHFFFAOYSA-N |
6
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
615.8
MW (Da)
6.22
ALogP
10
HBA
1
HBD
106.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 9.17 | 7.19 | 0.7 | 3 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.5 | 6.91 | 3.2 | 3 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.95 | 6.46 | 11.2 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.37 | 5.345 | 4265.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine