Tan Lab | DSigDB

Gene Set: D4 : TTD - Vandetanib

Collection

D4 : TTD

Chemical Name

Vandetanib ( From PubChem : VANDETANIB )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
475.354 g/mol	1	5	5.0151	False(3/4)

Structure

InChI

InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)

InChIKey

UHTHHESEBZOYNR-UHFFFAOYSA-N

Links

Gene (9 / 25)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Multitarget			EGFR		Successful target
TTD	Inhibitor			EGFR		Successful target
TTD	Drug(s)			EGFR		Successful target
TTD	Multitarget			KDR		Successful target
TTD	Inhibitor			KDR		Successful target
TTD	Drug(s)			KDR		Successful target
TTD	Multitarget			RET		Successful target
TTD	Inhibitor			RET		Successful target
TTD	Drug(s)			RET		Successful target
PubChem	None	uM	4.800	EGFR	-	GI(Protien) :
PubChem	None	uM	5.900	EGFR	-	GI(Protien) :
PubChem	None	uM	7.900	EGFR	-	GI(Protien) :
PubChem	None	uM	8.700	EGFR	-	GI(Protien) :
PubChem	None	uM	8.900	EGFR	-	GI(Protien) :
PubChem	None	uM	9.500	EGFR	-	GI(Protien) :
PubChem	None	uM	9.600	EGFR	-	GI(Protien) :
PubChem	Potency	uM	26.609	GMNN	-	GI(Protien) :
PubChem	Potency	uM	12.589	HTT	-	GI(Protien) :
PubChem	Potency	uM	4.091	MTOR	-	GI(Protien) :
PubChem	Potency	uM	9.159	MTOR	-	GI(Protien) :
PubChem	None	uM	4.600	RIPK2	-	GI(Protien) :
PubChem	Potency	uM	4.732	TDP1	-	GI(Protien) :
PubChem	Potency	uM	4.732	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.061	YES1		GI(Protien) :
ChEMBL	Potency	nM	12589.300	HTT	-	Target : CHEMBL5514

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