Compound Detail
CHEMBL3913492
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COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCOCC5)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3913492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXOGSNQFCPKZMA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
5.00
ALogP
9
HBA
1
HBD
86.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.13 | 8.13 | 7.4 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.57 | 6.57 | 269.1 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.16 | 5.16 | 6918.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 | IC50 | = | 3.09 | nM | 8.51 | Inhibition of human FGFR3 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... | - |
| Fibroblast growth factor receptor 4 | IC50 | = | 7.413 | nM | 8.13 | Inhibition of human FGFR4 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 269.15 | nM | 6.57 | Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ... | - |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 6918.31 | nM | 5.16 | Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as... | - |
Data from ChEMBL 36 via Core Engine