Compound Detail
CHEMBL3925008
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COc1cc(OC)cc(N(CCCN2CCCC(C#N)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3925008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNPGOAWRSCUFOV-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
4.81
ALogP
9
HBA
0
HBD
92.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.82 | 8.1267 | 1.5 | 3 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.17 | 6.38 | 67.6 | 2 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.81 | 6.81 | 154.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 | IC50 | = | 1.514 | nM | 8.82 | Inhibition of recombinant human N-terminal His6-tagged FGFR3 expressed in insect... | - |
| Fibroblast growth factor receptor 3 | IC50 | = | 3.802 | nM | 8.42 | Inhibition of TEL-fused FGFR3 (unknown origin) transfected in mouse BA/F3 cells ... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 67.61 | nM | 7.17 | Inhibition of recombinant human N-terminal His6-tagged VEGFR2 (790 end residues)... | - |
| Fibroblast growth factor receptor 3 | IC50 | = | 72.44 | nM | 7.14 | Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 154.88 | nM | 6.81 | Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2570.4 | nM | 5.59 | Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ... | - |
Data from ChEMBL 36 via Core Engine