Tan Lab | DSigDB

Gene Set: D4 : TTD - Valrubicin

Collection

D4 : TTD

Chemical Name

Valrubicin ( From PubChem : VALSTAR )

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
723.644 g/mol	5	14	2.8531	False(2/4)

Structure

InChI

InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14?,17?,19-,22?,27?,33-/m0/s1

InChIKey

ZOCKGBMQLCSHFP-ZQUOIQDWSA-N

Links

Gene (14 / 24)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			TOP2A		Successful target
TTD	Drug(s)			TOP2A		Successful target
TTD	Inhibitor			TOP2B		Successful target
TTD	Drug(s)			TOP2B		Successful target
PubChem	AR Potency (uM)	uM	3.349	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	4.958	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	6.740	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	8.485	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	7.562	NR3C1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	8.166	NR3C1	-	GI(Protien) :
PubChem	Potency	uM	1.334	TDP1	-	GI(Protien) :
PubChem	Potency	uM	1.496	TDP1	-	GI(Protien) :
PubChem	None	uM		CHRM5	-	GI(Protien) :
PubChem	None	uM		CHRM5	-	GI(Protien) :
PubChem	Potency	uM	23.109	IDH1	-	GI(Protien) :
PubChem	None	uM		MITF	-	GI(Protien) :
PubChem	IC50	uM	0.443	NCOA3	-	GI(Protien) :
PubChem	Potency	uM	9.200	NFE2L2	-	GI(Protien) :
PubChem	None	uM		PRMT1	-	GI(Protien) :
PubChem	None	uM		SENP1	-	GI(Protien) :
PubChem	None	uM		SENP8	-	GI(Protien) :
PubChem	Potency	uM	1.158	TDP1	-	GI(Protien) :
PubChem	Potency	uM	2.060	TDP1	-	GI(Protien) :
PubChem	Potency	uM	7.943	WRN	-	GI(Protien) :

Download gene sets

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