Compound Detail
CHEMBL5314555
LIRAFUGRATINIB 🧪 Phase II
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🧪 Phase II
C=C(C)C(=O)Nc1ccc(-c2c(-c3ccc(Oc4nccc(C)n4)c(F)c3)c3c(N)ncnc3n2C)cc1
Basic Information
| ChEMBL ID | CHEMBL5314555 |
| Name | LIRAFUGRATINIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | XOQVZSSDIQQUGO-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
4
Known Names
1
Indications
Molecular Properties
509.6
MW (Da)
5.43
ALogP
8
HBA
2
HBD
120.8
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Neoplasms
Activity Summary
IC50 6 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.52 | 8.515 | 3.0 | 2 |
| BaF3 CHEMBL614524 | IC50 | 8.05 | 8.05 | 8.9 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 6.56 | 6.56 | 274.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.06 | 6.06 | 864.0 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 4.75 | 4.75 | 17633.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of wild-type FGFR2 (458 to 765 residues)(unknown origin) expressed in... | 38718625 |
| Fibroblast growth factor receptor 2 | IC50 | = | 3.1 | nM | 8.51 | Inhibition of FGFR2 (unknown origin) | 38908103 |
| BaF3 | IC50 | = | 8.9 | nM | 8.05 | Antiproliferation activity against mouse BaF3 cells expressing FGFR2 incubated f... | 38718625 |
| Fibroblast growth factor receptor 3 | IC50 | = | 274.0 | nM | 6.56 | Inhibition of FGFR3 (unknown origin) | 38908103 |
| Fibroblast growth factor receptor 1 | IC50 | = | 864.0 | nM | 6.06 | Inhibition of FGFR1 (unknown origin) | 38908103 |
| Fibroblast growth factor receptor 4 | IC50 | = | 17633.0 | nM | 4.75 | Inhibition of FGFR4 (unknown origin) | 38908103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38718625 | 10.1016/j.ejmech.2024.116473 | BaF3 | 3 |
| 38718625 | 10.1016/j.ejmech.2024.116473 | Fibroblast growth factor receptor 2 | 1 |
| 38908103 | 10.1016/j.ejmech.2024.116612 | Fibroblast growth factor receptor 2 | 1 |
| 38908103 | 10.1016/j.ejmech.2024.116612 | Fibroblast growth factor receptor 1 | 1 |
| 38908103 | 10.1016/j.ejmech.2024.116612 | Fibroblast growth factor receptor 3 | 1 |
| 38908103 | 10.1016/j.ejmech.2024.116612 | Fibroblast growth factor receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine