Tan Lab | DSigDB

Gene Set: D4 : TTD - VATALANIB

Collection

D4 : TTD

Chemical Name

VATALANIB ( From PubChem : VATALANIB SUCCINATE )

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
464.901 g/mol	3	7	5.0214	False(3/4)

Structure

InChI

InChI=1S/C20H15ClN4.C4H6O4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14;5-3(6)1-2-4(7)8/h1-12H,13H2,(H,23,25);1-2H2,(H,5,6)(H,7,8)

InChIKey

LLDWLPRYLVPDTG-UHFFFAOYSA-N

Links

Gene (11 / 25)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			EGFR		Successful target
TTD	Inhibitor			FLT1		Clinical trial target
TTD	Inhibitor			FLT4		Successful target
TTD	Inhibitor			KDR		Successful target
PubChem	Potency-Replicate_1	uM	1.496	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	2.660	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	23.915	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	32.230	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	5.308	CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.132	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	25.602	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	26.832	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	26.832	ESR1	-	GI(Protien) :
PubChem	None	uM	9.600	FLT1	-	GI(Protien) :
PubChem	None	uM	5.100	KIT	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	19.569	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.130	NFE2L2	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.841	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	1.385	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.333	CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	9.439	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	26.603	ESR1	-	GI(Protien) :

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