SUNITINIB MALATE


Trade Names	SUNITINIB MALATE SUTENT
Synonyms	PHA-290940AD SU-010398 SU-011248 L-MALATE SALT SU010398 SU011248 L-MALATE SALT Sunitinib l-malate Sunitinib malate Sutent
Status
Molecule Category	Salt-form
UNII	LVX8N1UT73
Parent Compound:	SUNITINIB

Structure


InChI Key	LBWFXVZLPYTWQI-IPOVEDGCSA-N
Smiles	CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.O=C(O)C[C@H](O)C(=O)O
InChI	InChI=1S/C22H27FN4O2.C4H6O5/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28;5-2(4(8)9)1-3(6)7/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28);2,5H,1H2,(H,6,7)(H,8,9)/b17-12-;/t;2-/m.0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C26H33FN4O7
Molecular Weight	532.57
AlogP	3.33
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	77.23
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	29.0

Pharmacology

Mechanism of Action	Action	Reference
Macrophage colony stimulating factor receptor inhibitor	INHIBITOR	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family	-	12	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Gallus gallus	-	-	-	-	88.8

Target Conservation


Protein: Macrophage colony stimulating factor receptor Description: Macrophage colony-stimulating factor 1 receptor Organism : Homo sapiens P07333 ENSG00000182578












Protein: Tyrosine-protein kinase receptor RET Description: Proto-oncogene tyrosine-protein kinase receptor Ret Organism : Homo sapiens P07949 ENSG00000165731













Protein: Platelet-derived growth factor receptor Description: Platelet-derived growth factor receptor beta Organism : Homo sapiens P09619 ENSG00000113721











Protein: Stem cell growth factor receptor Description: Mast/stem cell growth factor receptor Kit Organism : Homo sapiens P10721 ENSG00000157404












Protein: Platelet-derived growth factor receptor Description: Platelet-derived growth factor receptor alpha Organism : Homo sapiens P16234 ENSG00000134853












Protein: Vascular endothelial growth factor receptor Description: Vascular endothelial growth factor receptor 1 Organism : Homo sapiens P17948 ENSG00000102755











Protein: Vascular endothelial growth factor receptor Description: Vascular endothelial growth factor receptor 3 Organism : Homo sapiens P35916 ENSG00000037280











Protein: Vascular endothelial growth factor receptor Description: Vascular endothelial growth factor receptor 2 Organism : Homo sapiens P35968 ENSG00000128052












Protein: Tyrosine-protein kinase receptor FLT3 Description: Receptor-type tyrosine-protein kinase FLT3 Organism : Homo sapiens P36888 ENSG00000122025

Cross References

Resources	Reference
ChEBI	38940
ChEMBL	CHEMBL1567
FDA SRS	LVX8N1UT73
Guide to Pharmacology	5713
KEGG	D08552
PDB	B49
PubChem	6456015
SureChEMBL	SCHEMBL1258610
ZINC	ZINC03964325

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