FOSTAMATINIB DISODIUM

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Search structure


Trade Names	TAVALISSE
Synonyms	Fostamatinib disodium Fostamatinib disodium salt hexahydrate R-788 SODIUM R-788 SODIUM HYDRATE R-935788 SODIUM R-935788 SODIUM HYDRATE R788 SODIUM R788 SODIUM HYDRATE R935788 SODIUM R935788 SODIUM HYDRATE Tavalisse
Status
Molecule Category	Salt-form
UNII	86EEZ49YVB
Parent Compound:	FOSTAMATINIB


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	ZQGJCHHKJNSPMS-UHFFFAOYSA-L
Smiles	COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)([O-])[O-])C(=O)C(C)(C)O4)n2)cc(OC)c1OC.O.O.O.O.O.O.[Na+].[Na+]
InChI	InChI=1S/C23H26FN6O9P.2Na.6H2O/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4;;;;;;;;/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29);;;61H2/q;2+1;;;;;;/p-2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H36FN6Na2O15P
Molecular Weight	732.52
AlogP	3.09
Hydrogen Bond Acceptor	12.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	10.0
Polar Surface Area	186.72
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	40.0

Bioactivity

Mechanism of Action	Action	Reference
Tyrosine-protein kinase SYK inhibitor	INHIBITOR	FDA PubMed


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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Syk family	-	17	-	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family	-	-	70	-	-

Assay Description	Organism	Bioactivity	Reference
Inhibition of vascular endothelial growth factor receptor 2	None	70.0 nM
Cytotoxicity against human Ramos cells	Homo sapiens	267.0 nM
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis	Homo sapiens	17.0 nM

Cross References

Resources	Reference
ChEMBL	CHEMBL3989516
FDA SRS	86EEZ49YVB
PubChem	24828759
SureChEMBL	SCHEMBL15110498

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).