Compound Detail
CHEMBL3903768
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COc1cc(OCCO)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3903768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHQHOPNXSLQIGY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3974693 |
| Active Moiety | CHEMBL3974693 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
4.03
ALogP
9
HBA
1
HBD
88.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 | IC50 | = | 2.188 | nM | 8.66 | Inhibition of TEL-fused FGFR3 (unknown origin) transfected in mouse BA/F3 cells ... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 48.98 | nM | 7.31 | Inhibition of recombinant human N-terminal His6-tagged VEGFR2 (790 end residues)... | - |
Data from ChEMBL 36 via Core Engine