Compound Detail
CHEMBL3957643
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COc1cc(OC)cc(N(CCN2C[C@H](C)C[C@@H](C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3957643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHUMIEYXIJFRTO-MUCZFFFMSA-N |
| Parent Compound | CHEMBL3990420 |
| Active Moiety | CHEMBL3990420 |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
5.16
ALogP
8
HBA
0
HBD
68.5
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.21 | 7.4467 | 6.2 | 3 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.37 | 5.78 | 426.6 | 2 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.25 | 6.25 | 562.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 | IC50 | = | 6.166 | nM | 8.21 | Inhibition of recombinant human N-terminal His6-tagged FGFR3 expressed in insect... | - |
| Fibroblast growth factor receptor 3 | IC50 | = | 21.88 | nM | 7.66 | Inhibition of TEL-fused FGFR3 (unknown origin) transfected in mouse BA/F3 cells ... | - |
| Fibroblast growth factor receptor 3 | IC50 | = | 338.84 | nM | 6.47 | Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 426.58 | nM | 6.37 | Inhibition of recombinant human N-terminal His6-tagged VEGFR2 (790 end residues)... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 562.34 | nM | 6.25 | Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 6456.54 | nM | 5.19 | Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ... | - |
Data from ChEMBL 36 via Core Engine