Compound Detail
CHEMBL5556378
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C=CC(=O)Nc1ccc(-c2c(-c3ccc(C4(NCC)COC4)c(F)c3)c3c(N)ncnc3n2C)cc1
Basic Information
| ChEMBL ID | CHEMBL5556378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKPFYDQXKICWIY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
3.98
ALogP
7
HBA
3
HBD
107.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BaF3 CHEMBL614524 | IC50 | 7.81 | 7.135 | 15.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BaF3 | IC50 | = | 15.6 | nM | 7.81 | Antiproliferation activity against mouse BaF3 cells expressing FGFR2 incubated f... | 38718625 |
| BaF3 | IC50 | = | 345.3 | nM | 6.46 | Antiproliferation activity against mouse BaF3 cells expressing FGFR1 incubated f... | 38718625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38718625 | 10.1016/j.ejmech.2024.116473 | BaF3 | 3 |
Data from ChEMBL 36 via Core Engine