Tan Lab | DSigDB

Gene Set: D4 : TTD - Anthracycline

Collection

D4 : TTD

Chemical Name

Anthracycline ( From PubChem : DAUNORUBICIN )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
527.52 g/mol	5	11	1.7292	False(2/4)

Structure

InChI

InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1

InChIKey

STQGQHZAVUOBTE-VGBVRHCVSA-N

Links

Gene (29 / 69)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			TOP2A		Successful target
TTD	Inhibitor			TOP2B		Successful target
PubChem	Ratio Potency (uM)	uM	0.952	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.952	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	2.131	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	14.960	AR	-	GI(Protien) :
PubChem	Potency	uM	14.125	BLM	-	GI(Protien) :
PubChem	Potency	uM	16.231	BLM	-	GI(Protien) :
PubChem	Potency	uM	28.184	BLM	-	GI(Protien) :
PubChem	Potency	uM	0.251	CBFB	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	3.758	CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	15.849	EHMT2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.477	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.477	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.531	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	7.562	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	8.485	ESR1	-	GI(Protien) :
PubChem	None	uM		GNAI1	-	GI(Protien) :
PubChem	Potency	uM	2.239	HTT	-	GI(Protien) :
PubChem	Potency	uM	4.467	MAPT	-	GI(Protien) :
PubChem	Potency	uM	5.012	MAPT	-	GI(Protien) :
PubChem	Potency	uM	25.119	MAPT	-	GI(Protien) :
PubChem	None	uM		MAPT	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	3.349	NR1H4	-	GI(Protien) :
PubChem	None	uM		NR1H4	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.700	NR3C1	-	GI(Protien) :
PubChem	Potency	uM	5.012	POLK	-	GI(Protien) :
PubChem	Potency	uM	11.917	POLK	-	GI(Protien) :
PubChem	None	uM		PPARD	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
PubChem	None	uM		RGS12	-	GI(Protien) :
PubChem	Potency	uM	0.251	RUNX1	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	0.021	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.024	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.027	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.038	TDP1	-	GI(Protien) :
PubChem	Potency	uM	11.220	THRB	-	GI(Protien) :
PubChem	Potency	uM	22.387	THRB	-	GI(Protien) :
PubChem	Potency	uM	31.623	THRB	-	GI(Protien) :
PubChem	Potency	uM	44.668	THRB	-	GI(Protien) :
PubChem	Potency	uM	39.811	USP1	-	GI(Protien) :
PubChem	Potency	uM	44.668	USP1	-	GI(Protien) :
PubChem	None	uM		VDR	-	GI(Protien) :
ChEMBL	Potency	nM	10000.000	APEX1	-	Target : CHEMBL5619
ChEMBL	Potency	nM	28183.800	BLM	-	Target : CHEMBL1293237
ChEMBL	Potency	nM	14125.400	BLM	-	Target : CHEMBL1293237
ChEMBL	Potency	nM	16231.300	BLM	-	Target : CHEMBL1293237
ChEMBL	Potency	nM	251.200	CBFB	-	Target : CHEMBL2093862
ChEMBL	Potency	nM	15848.900	EHMT2	-	Target : CHEMBL6032
ChEMBL	Inhibition	-		HDAC6	-	Target : CHEMBL1865
ChEMBL	Potency	nM	2238.700	HTT	-	Target : CHEMBL5514
ChEMBL	Potency	nM	35481.300	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	25118.900	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	4466.800	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	5011.900	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	31622.800	RECQL	-	Target : CHEMBL1293236
ChEMBL	Potency	nM	28183.800	RECQL	-	Target : CHEMBL1293236
ChEMBL	Potency	nM	251.200	RUNX1	-	Target : CHEMBL2093862
ChEMBL	Potency	nM	11220.200	THRB	-	Target : CHEMBL1947
ChEMBL	Potency	nM	31622.800	THRB	-	Target : CHEMBL1947
ChEMBL	Potency	nM	22387.200	THRB	-	Target : CHEMBL1947
ChEMBL	Potency	nM	44668.400	THRB	-	Target : CHEMBL1947
ChEMBL	Inhibition	-		TOP1	-	Target : CHEMBL1781
ChEMBL	Inhibition	-		TOP2A	-	Target : CHEMBL1806
ChEMBL	Inhibition	-		TOP2A	-	Target : CHEMBL1806
ChEMBL	Inhibition	-		TOP2A	-	Target : CHEMBL1806

Download gene sets

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