Tan Lab | DSigDB

Gene Set: D4 : TTD - Sorafenib

Collection

D4 : TTD

Chemical Name

Sorafenib ( From PubChem : SORAFENIB )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
464.825 g/mol	3	7	6.0866	False(3/4)

Structure

InChI

InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)

InChIKey

MLDQJTXFUGDVEO-UHFFFAOYSA-N

Links

Gene (12 / 22)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Multitarget			BRAF		Successful target
TTD	Inhibitor			BRAF		Successful target
TTD	Drug(s)			BRAF		Successful target
TTD	Multitarget			FLT1		Successful target
TTD	Inhibitor			FLT1		Successful target
TTD	Drug(s)			FLT1		Successful target
TTD	Multitarget			RET		Successful target
TTD	Inhibitor			RET		Successful target
TTD	Drug(s)			RET		Successful target
PubChem	None	uM	1.500	DDR1	-	GI(Protien) :
PubChem	None	uM	6.600	DDR2	-	GI(Protien) :
PubChem	None	uM		EZH2	-	GI(Protien) :
PubChem	Potency	uM	8.414	GMNN	-	GI(Protien) :
PubChem	None	uM	7.400	RET	-	GI(Protien) :
PubChem	None	uM		STK16	-	GI(Protien) :
PubChem	Potency	uM	3.162	TDP1	-	GI(Protien) :
PubChem	Potency	uM	5.623	TDP1	-	GI(Protien) :
PubChem	Potency	uM	27.404	YES1		GI(Protien) :
PubChem	Potency	uM	34.499	YES1		GI(Protien) :
PubChem	None	uM	6.300	ZAK	-	GI(Protien) :
ChEMBL	Activity	-		PTPN6	-	Target : CHEMBL3166
ChEMBL	Inhibition	-		RET	-	Target : CHEMBL2041

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