Compound Detail
CHEMBL4757428
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Basic Information
| ChEMBL ID | CHEMBL4757428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGTPQWZZUGUUOY-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
464.9
MW (Da)
4.68
ALogP
5
HBA
3
HBD
105.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.07 | 8.07 | 8.6 | 1 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 6.84 | 6.84 | 146.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.54 | 5.54 | 2918.0 | 1 |
| SMMC-7721 CHEMBL613831 | IC50 | 5.3 | 5.3 | 4991.0 | 1 |
| Huh-7 CHEMBL614039 | IC50 | 5.3 | 5.3 | 5021.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 | IC50 | = | 8.6 | nM | 8.07 | Inhibition of FGFR4 (unknown origin) | 33618175 |
| Fibroblast growth factor receptor 2 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of FGFR2 (unknown origin) | 33618175 |
| Fibroblast growth factor receptor 3 | IC50 | = | 146.0 | nM | 6.84 | Inhibition of FGFR3 (unknown origin) | 33618175 |
| HepG2 | IC50 | = | 2918.0 | nM | 5.54 | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability i... | 33618175 |
| Huh-7 | IC50 | = | 5021.0 | nM | 5.3 | Cytotoxicity against human Huh-7 cells assessed as reduction in cell viability i... | 33618175 |
| SMMC-7721 | IC50 | = | 4991.0 | nM | 5.3 | Cytotoxicity against human SMMC-7721 cells assessed as reduction in cell viabili... | 33618175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33618175 | 10.1016/j.ejmech.2021.113219 | Huh-7 | 12 |
| 33618175 | 10.1016/j.ejmech.2021.113219 | SMMC-7721 | 9 |
| 33618175 | 10.1016/j.ejmech.2021.113219 | HepG2 | 6 |
| 33618175 | 10.1016/j.ejmech.2021.113219 | Fibroblast growth factor receptor 4 | 5 |
| 33618175 | 10.1016/j.ejmech.2021.113219 | Unchecked | 2 |
| 33618175 | 10.1016/j.ejmech.2021.113219 | Fibroblast growth factor receptor 1 | 1 |
| 33618175 | 10.1016/j.ejmech.2021.113219 | Fibroblast growth factor receptor 2 | 1 |
| 33618175 | 10.1016/j.ejmech.2021.113219 | Fibroblast growth factor receptor 3 | 1 |
| 33618175 | 10.1016/j.ejmech.2021.113219 | Focal adhesion kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine