R-343

/static/temp/default.svg Search structure
Status
Molecule Category Mixture
UNII Y4069R7J86

Structure

InChI Key MOXXQFNQDDSJHT-UHFFFAOYSA-N
Smiles CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(F)(F)O4)n2)c1
InChI
InChI=1S/C21H17F3N6O4/c1-25-17(31)10-33-13-4-2-3-11(7-13)28-20-26-9-14(22)18(30-20)27-12-5-6-16-15(8-12)29-19(32)21(23,24)34-16/h2-9H,10H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H17F3N6O4
Molecular Weight 474.4
AlogP 3.15
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 126.5
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Tyrosine-protein kinase SYK inhibitor INHIBITOR
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- - - 35 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- - - 217 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- - - 130 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- - - 130 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - - 30-116 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Syk family
27 - - 1.8 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
27 - - - -

Target Conservation

Protein: Tyrosine-protein kinase SYK
Description: Tyrosine-protein kinase SYK
Organism : Homo sapiens
P43405 ENSG00000165025

Cross References

Resources Reference
ChEMBL CHEMBL2170582
FDA SRS Y4069R7J86
SureChEMBL SCHEMBL2037260
ZINC ZINC000038576002
ChEMBL CHEMBL3545340
FDA SRS Y4069R7J86
SureChEMBL SCHEMBL14877115
CONTENTS