Compound Detail
CHEMBL5573605
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COCCNc1cc(NC(=O)c2cn(C)c3cc(-c4c(F)cccc4OC)c(C=O)nc23)ncc1C#N
Basic Information
| ChEMBL ID | CHEMBL5573605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNDIZVSRTQUFGU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
502.5
MW (Da)
3.78
ALogP
9
HBA
2
HBD
131.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 6.79 | 6.79 | 161.2 | 1 |
| BaF3 CHEMBL614524 | IC50 | 6.51 | 6.51 | 311.3 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| NCI-H1299 CHEMBL612255 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 | IC50 | = | 161.2 | nM | 6.79 | Inhibition of N-terminal 6His tagged FGFR4 (unknown origin) expressed in Escheri... | 38348819 |
| BaF3 | IC50 | = | 311.3 | nM | 6.51 | Antiproliferative activity against mouse BaF3 cells harboring wild type FGFR4 as... | 38348819 |
| Hep 3B2 | IC50 | = | 3200.0 | nM | 5.5 | Antiproliferative activity against human Hep3B cells assessed as inhibition of c... | 38348819 |
| NCI-H1299 | IC50 | = | 4300.0 | nM | 5.37 | Antiproliferative activity against FGFR4 independent human NCI-H1299 cells asses... | 38348819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38348819 | 10.1021/acs.jmedchem.3c01810 | Fibroblast growth factor receptor 4 | 1 |
| 38348819 | 10.1021/acs.jmedchem.3c01810 | BaF3 | 1 |
| 38348819 | 10.1021/acs.jmedchem.3c01810 | Hep 3B2 | 1 |
| 38348819 | 10.1021/acs.jmedchem.3c01810 | NCI-H1299 | 1 |
Data from ChEMBL 36 via Core Engine