Tan Lab | DSigDB

Gene Set: D4 : CTD - raltitrexed

Collection

D4 : CTD

Chemical Name

raltitrexed ( From PubChem : RALTITREXED )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Not	Not	Not	Not	Not	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
458.488 g/mol	4	10	2.3681	True

Structure

InChI

InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1

InChIKey

IVTVGDXNLFLDRM-HNNXBMFYSA-N

Links

Gene (15 / 40)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(expression)			ANXA2		C068874
CTD	decreases(reaction)			ANXA2		C068874
CTD	increases(expression)			FAS		C068874
CTD	increases(localization)			FAS		C068874
CTD	increases(expression)			FAS		C068874
CTD	increases(reaction)			FAS		C068874
CTD	affects(reaction)			FAS		C068874
CTD	decreases(reaction)			FAS		C068874
CTD	increases(response to substance)			FOLR1		C068874
CTD	increases(expression)			FXYD3		C068874
CTD	increases(expression)			HSPE1		C068874
CTD	increases(expression)			SAT1		C068874
CTD	decreases(reaction)			SAT1		C068874
CTD	decreases(reaction)			SLC19A1		C068874
CTD	increases(transport)			SLC19A1		C068874
CTD	decreases(response to substance)			SLC19A1		C068874
CTD	increases(response to substance)			SLC19A1		C068874
CTD	increases(response to substance)			SLC46A1		C068874
CTD	increases(phosphorylation)			STAT1		C068874
CTD	increases(localization)			STAT1		C068874
CTD	increases(reaction)			STAT1		C068874
CTD	decreases(reaction)			STAT1		C068874
CTD	increases(expression)			TMSB10		C068874
CTD	affects(reaction)			TP53		C068874
CTD	increases(expression)			TP53		C068874
CTD	affects(response to substance)			TP53		C068874
CTD	decreases(reaction)			TP53		C068874
CTD	increases(phosphorylation)			TP53		C068874
CTD	decreases(activity)			TYMS		C068874
CTD	affects(response to substance)			TYMS		C068874
CTD	decreases(reaction)			TYMS		C068874
CTD	increases(expression)			TYMS		C068874
CTD	decreases(reaction)			TYMS		C068874
CTD	increases(expression)			TYMS		C068874
PubChem	None	uM		ADRBK1	-	GI(Protien) :
PubChem	None	uM		ITGA4	-	GI(Protien) :
PubChem	Potency	uM	0.004	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.005	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.008	TDP1	-	GI(Protien) :
ChEMBL	Inhibition	-		SLC19A1	-	Target : CHEMBL4833

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