Compound Detail
CHEMBL3904441
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COc1cc(OC)cc(N(Cc2ccc(Cl)s2)c2ccc3ncc(-c4cnn(CCN5CCNCC5)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3904441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEZTVLXEJBQTPI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3990410 |
| Active Moiety | CHEMBL3990410 |
6
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
590.1
MW (Da)
5.47
ALogP
10
HBA
1
HBD
80.6
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.39 | 6.5833 | 4.1 | 3 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.37 | 6.6367 | 4.3 | 3 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.9 | 6.27 | 12.6 | 3 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.75 | 7.75 | 17.8 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.38 | 5.375 | 4168.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine