Compound Detail
CHEMBL3949470
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COc1cc(OC)cc(N(CCCO)c2ccc3ncc(-c4cnn(CCS(C)(=O)=O)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3949470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWLGIUCUYKLSHV-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
3.08
ALogP
10
HBA
1
HBD
119.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.93 | 8.05 | 1.2 | 2 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.6 | 7.795 | 2.5 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.17 | 8.17 | 6.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.23 | 6.44 | 58.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine