Compound Detail
CHEMBL3958209
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Basic Information
| ChEMBL ID | CHEMBL3958209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USCLDZNWLVHDPF-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
4.56
ALogP
9
HBA
1
HBD
101.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.98 | 8.98 | 1.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.86 | 8.86 | 1.4 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.74 | 7.08 | 18.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 1.047 | nM | 8.98 | Inhibition of human FGFR2 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 1.38 | nM | 8.86 | Inhibition of human FGFR1 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... | - |
| Fibroblast growth factor receptor 3 | IC50 | = | 1.698 | nM | 8.77 | Inhibition of human FGFR3 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... | - |
| Fibroblast growth factor receptor 4 | IC50 | = | 3.802 | nM | 8.42 | Inhibition of human FGFR4 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 18.2 | nM | 7.74 | Inhibition of human VEGFR2 using Btn-Flt3 as substrate after 120 mins by TR-FRET... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 380.19 | nM | 6.42 | Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ... | - |
Data from ChEMBL 36 via Core Engine