Compound Detail
CHEMBL5564803
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CCC(=O)Nc1ccc(-c2c(-c3ccc(C4(N(CC)C(C)C)COC4)c(F)c3)c3c(N)ncnc3n2C)cc1
Basic Information
| ChEMBL ID | CHEMBL5564803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFBHZUWVGIJCMK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
5.33
ALogP
7
HBA
2
HBD
98.3
PSA (Ų)
0.32
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KATO III stomach cancer cell line CHEMBL612700 | IC50 | 5.4 | 5.4 | 3963.0 | 1 |
| A204 CHEMBL614514 | IC50 | 5.28 | 5.28 | 5205.0 | 1 |
| SNU-16 CHEMBL613529 | IC50 | 5.23 | 5.23 | 5845.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KATO III stomach cancer cell line | IC50 | = | 3963.0 | nM | 5.4 | Antiproliferation activity against human KATO III cells harboring FGFR2 amplific... | 38718625 |
| A204 | IC50 | = | 5205.0 | nM | 5.28 | Antiproliferation activity against human A204 cells harboring FGFR2 amplificatio... | 38718625 |
| SNU-16 | IC50 | = | 5845.0 | nM | 5.23 | Antiproliferation activity against human SNU-16 cells harboring FGFR2 amplificat... | 38718625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38718625 | 10.1016/j.ejmech.2024.116473 | BaF3 | 3 |
| 38718625 | 10.1016/j.ejmech.2024.116473 | SNU-16 | 1 |
| 38718625 | 10.1016/j.ejmech.2024.116473 | KATO III stomach cancer cell line | 1 |
| 38718625 | 10.1016/j.ejmech.2024.116473 | A204 | 1 |
| 38718625 | 10.1016/j.ejmech.2024.116473 | RT-112 | 1 |
| 38718625 | 10.1016/j.ejmech.2024.116473 | MDA-MB-453 | 1 |
Data from ChEMBL 36 via Core Engine