Compound Detail
CHEMBL3969381
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COc1cc(OC)cc(N(CCCN2CC[C@H](C#N)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3969381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZPRHAVGOLBEIQ-VEIFNGETSA-N |
| Parent Compound | CHEMBL3990982 |
| Active Moiety | CHEMBL3990982 |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
4.42
ALogP
9
HBA
0
HBD
92.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 9.23 | 8.24 | 0.6 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.57 | 6.595 | 26.9 | 2 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.17 | 7.17 | 67.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 | IC50 | = | 0.5888 | nM | 9.23 | Inhibition of TEL-fused FGFR3 (unknown origin) transfected in mouse BA/F3 cells ... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 26.92 | nM | 7.57 | Inhibition of recombinant human N-terminal His6-tagged VEGFR2 (790 end residues)... | - |
| Fibroblast growth factor receptor 3 | IC50 | = | 56.23 | nM | 7.25 | Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 67.61 | nM | 7.17 | Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2398.83 | nM | 5.62 | Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ... | - |
Data from ChEMBL 36 via Core Engine