FRUQUINTINIB

Search structure
Synonyms:
Status: Approved (2023)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 49DXG3M5ZW

Structure
InChI Key BALLNEJQLSTPIO-UHFFFAOYSA-N
Smile CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
InChI
InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H19N3O5
Molecular Weight 393.4
AlogP 3.85
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 95.71
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Vascular endothelial growth factor receptor inhibitor
Primary Target
fms related receptor tyrosine kinase 1
fms related receptor tyrosine kinase 4
kinase insert domain receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 0.35-35 - - -
Enzyme Transferase
- - - - 13.33-20.34
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -6.42-14.65

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colorectal Neoplasms 4 D015179 ClinicalTrials
Colorectal Neoplasms 4 D015179 ClinicalTrials
Neoplasms 4 D009369 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Esophageal Neoplasms 2 D004938 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Colonic Neoplasms 2 D003110 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Rectal Neoplasms 2 D012004 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials
Endometrial Neoplasms 1 D016889 ClinicalTrials
Adenocarcinoma 1 D000230 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1194506-26-7
ChEMBL CHEMBL4303214
FDA SRS 49DXG3M5ZW
Guide to Pharmacology 9428
PubChem 44480399
SureChEMBL SCHEMBL947183
ZINC ZINC000114898570
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