Compound Detail
CHEMBL5558021
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COc1cc(OC)cc(N2Cc3cnc(Nc4c(C)cccc4NC(=O)CCl)nc3N(Cc3ccc(NC(=O)CCl)cc3)C2=O)c1
Basic Information
| ChEMBL ID | CHEMBL5558021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEVASFYKJZJTSE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
664.5
MW (Da)
6.05
ALogP
8
HBA
3
HBD
138.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BaF3 CHEMBL614524 | IC50 | 6.49 | 5.98 | 322.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BaF3 | IC50 | = | 322.0 | nM | 6.49 | Antiproliferative activity against mouse BaF3 cells expressing FGFR4 incubated f... | 38432058 |
| BaF3 | IC50 | = | 3400.0 | nM | 5.47 | Antiproliferative activity against mouse BaF3 cells incubated for 72 hrs by CCK-... | 38432058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38432058 | 10.1016/j.ejmech.2024.116281 | BaF3 | 2 |
| 38432058 | 10.1016/j.ejmech.2024.116281 | Fibroblast growth factor receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine