Compound Detail
CHEMBL3927947
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COc1cc(OC)cc(N(CCCN2CCC(N3CCCCC3)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3927947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPHLOPRAOHSQFI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3971277 |
| Active Moiety | CHEMBL3971277 |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
555.7
MW (Da)
5.14
ALogP
9
HBA
0
HBD
71.8
PSA (Ų)
0.27
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.87 | 8.535 | 1.3 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.44 | 7.44 | 36.3 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.21 | 6.21 | 616.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 | IC50 | = | 1.349 | nM | 8.87 | Inhibition of recombinant human N-terminal His6-tagged FGFR3 expressed in insect... | - |
| Fibroblast growth factor receptor 3 | IC50 | = | 6.31 | nM | 8.2 | Inhibition of TEL-fused FGFR3 (unknown origin) transfected in mouse BA/F3 cells ... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 36.31 | nM | 7.44 | Inhibition of recombinant human N-terminal His6-tagged VEGFR2 (790 end residues)... | - |
| NON-PROTEIN TARGET | IC50 | = | 616.6 | nM | 6.21 | Antiproliferative activity against mouse BA/F3 cells in presence of mouse IL3 af... | - |
Data from ChEMBL 36 via Core Engine