Compound Detail
CHEMBL3348846
FEXAGRATINIB 🧪 Phase II
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase II
COc1cc(CCc2cc(NC(=O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3)n[nH]2)cc(OC)c1
Basic Information
| ChEMBL ID | CHEMBL3348846 |
| Name | FEXAGRATINIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | VRQMAABPASPXMW-HDICACEKSA-N |
36
Targets
144
Activities
3
Assay Types
9
PK Parameters
20
Publications
7
Known Names
13
Indications
1
Mechanisms
Molecular Properties
463.6
MW (Da)
3.65
ALogP
6
HBA
3
HBD
91.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Fibroblast growth factor receptor inhibitor | INHIBITOR | Fibroblast growth factor receptor | ✓ | ✓ |
Indications
Adenocarcinoma Adenocarcinoma Breast Neoplasms Carcinoma, Non-Small-Cell Lung Carcinoma, Squamous Cell Carcinoma, Squamous Cell Multiple Myeloma Neoplasms Neoplasms Stomach Neoplasms Urinary Bladder Neoplasms Urinary Bladder Neoplasms Paraganglioma
Activity Summary
IC50 136 meas. best 9.7
EC50 4 meas. best 7.72
Kd 4 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 9.7 | 8.9046 | 0.2 | 24 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | Kd | 9.7 | 9.7 | 0.2 | 1 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 9.4 | 8.6244 | 0.4 | 16 |
| Unchecked CHEMBL612545 | IC50 | 9.3 | 7.8371 | 0.5 | 7 |
| NCI-H716 CHEMBL2366106 | IC50 | 9.22 | 8.725 | 0.6 | 2 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 9.22 | 8.4285 | 0.6 | 13 |
| RT-112 CHEMBL614145 | IC50 | 9.22 | 7.9133 | 0.6 | 3 |
| SNU-16 CHEMBL613529 | IC50 | 8.92 | 8.2533 | 1.2 | 9 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | Kd | 8.74 | 8.74 | 1.8 | 1 |
| KG-1 CHEMBL612264 | IC50 | 8.72 | 8.4675 | 1.9 | 4 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | Kd | 8.6 | 8.6 | 2.5 | 1 |
| NCI-H1581 CHEMBL1075516 | IC50 | 8.4 | 7.5829 | 4.0 | 7 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.19 | 7.45 | 6.4 | 5 |
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| DMS-114 CHEMBL614642 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| HT-29 CHEMBL384 | EC50 | 7.72 | 7.72 | 19.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.62 | 7.4583 | 24.0 | 6 |
| U-937 CHEMBL612794 | EC50 | 7.51 | 7.51 | 31.0 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.34 | 6.8081 | 45.7 | 16 |
| TOV21G CHEMBL4630716 | EC50 | 7.28 | 7.28 | 52.0 | 1 |
| A549 CHEMBL392 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| OPM-2 CHEMBL2366353 | IC50 | 7.08 | 7.08 | 83.6 | 2 |
| BaF3 CHEMBL614524 | IC50 | 6.65 | 6.46 | 222.0 | 3 |
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | IC50 | 6.59 | 6.59 | 259.2 | 1 |
| Huh-7 CHEMBL614039 | IC50 | 6.55 | 6.55 | 284.3 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3839 | IC50 | 6.46 | 6.375 | 348.0 | 2 |
| Aurora kinase A CHEMBL4722 | Kd | 6.42 | 6.42 | 381.1 | 1 |
| SK-HEP1 CHEMBL614912 | IC50 | 5.56 | 5.56 | 2780.0 | 1 |
| SGC-7901 CHEMBL614909 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.5 | 5.5 | 3130.0 | 1 |
| MGC-803 CHEMBL3706566 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.14 | 5.14 | 7190.0 | 1 |
| BGC-823 CHEMBL614526 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| KYSE-150 cell line CHEMBL613998 | IC50 | 5.05 | 5.05 | 8920.0 | 1 |
| Receptor-interacting serine/threonine-protein kinase 3 CHEMBL1795199 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.74 | 4.74 | 18210.0 | 1 |
| MDA-MB-435 CHEMBL614697 | IC50 | 4.67 | 4.67 | 21580.0 | 1 |
| U-87 MG CHEMBL614247 | IC50 | 4.59 | 4.59 | 25410.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 4.42 | 4.42 | 37950.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2076.72 | ng.hr.mL-1 | Mus musculus |
| AUC | 9127.04 | ng.hr.mL-1 | Mus musculus |
| CL | 16.05 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 4061.87 | nM | Mus musculus |
| Cmax | 2912.12 | nM | Mus musculus |
| F | 74.66 | % | Mus musculus |
| T1/2 | 2.29 | hr | Mus musculus |
| T1/2 | 2.55 | hr | Mus musculus |
| Vd | 3.175 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine