Compound Detail
CHEMBL3982718
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COc1cc(OC)cc(N(CC#Cc2nccc(OC(C)C)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3982718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHWNOTNFJRKXDT-UHFFFAOYSA-N |
6
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
4.81
ALogP
10
HBA
0
HBD
100.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.43 | 7.985 | 3.7 | 2 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.22 | 7.1267 | 6.0 | 3 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 7.52 | 7.52 | 30.2 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.11 | 5.055 | 7762.5 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.07 | 5.07 | 8511.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine