Compound Detail
CHEMBL5584172
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Basic Information
| ChEMBL ID | CHEMBL5584172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYACOCXWYHINFX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
3.03
ALogP
9
HBA
2
HBD
134.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BaF3 CHEMBL614524 | IC50 | 7.52 | 7.52 | 30.3 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 6.75 | 6.75 | 179.1 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| NCI-H1299 CHEMBL612255 | IC50 | 4.89 | 4.89 | 12900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BaF3 | IC50 | = | 30.3 | nM | 7.52 | Antiproliferative activity against mouse BaF3 cells harboring wild type FGFR4 as... | 38348819 |
| Fibroblast growth factor receptor 4 | IC50 | = | 179.1 | nM | 6.75 | Inhibition of N-terminal 6His tagged FGFR4 (unknown origin) expressed in Escheri... | 38348819 |
| Hep 3B2 | IC50 | = | 1800.0 | nM | 5.75 | Antiproliferative activity against human Hep3B cells assessed as inhibition of c... | 38348819 |
| NCI-H1299 | IC50 | = | 12900.0 | nM | 4.89 | 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