Compound Detail
CHEMBL3953833
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COc1cc(OC)cc(N(CC#Cc2nccc(OC)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3953833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSSUJWPHHVXXFT-UHFFFAOYSA-N |
6
Targets
11
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
4.04
ALogP
10
HBA
0
HBD
100.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 8.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.58 | 7.44 | 2.6 | 3 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.13 | 8.13 | 7.4 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.98 | 7.98 | 10.5 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 7.9 | 7.46 | 12.6 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.22 | 5.63 | 602.6 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.2 | 5.12 | 6309.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine