Compound Detail
CHEMBL3908829
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COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCCN5CCN(CCCO)CC5)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3908829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRKHYJVGAHJYAK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3991135 |
| Active Moiety | CHEMBL3991135 |
6
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
585.8
MW (Da)
4.45
ALogP
10
HBA
1
HBD
92.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.54 | 6.6433 | 2.9 | 3 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.32 | 6.5767 | 4.8 | 3 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.69 | 6.2033 | 20.4 | 3 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.37 | 7.37 | 42.7 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.28 | 5.27 | 5248.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine