Tan Lab | DSigDB

Gene Set: D4 : CTD - Digoxin

Collection

D4 : CTD

Chemical Name

Digoxin ( From PubChem : DIGOXIN )

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
780.938 g/mol	6	14	2.2181	False(1/4)

Structure

InChI

InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23?,24+,25-,26?,27?,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1

InChIKey

LTMHDMANZUZIPE-AQMLNVNBSA-N

Links

Gene (63 / 147)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(reaction)			ABCA8		D004077
CTD	increases(uptake)			ABCA8		D004077
CTD	decreases(reaction)			ABCB1		D004077
CTD	increases(expression)			ABCB1		D004077
CTD	affects(abundance)			ABCB1		D004077
CTD	affects(transport)			ABCB1		D004077
CTD	affects(binding)			ABCB1		D004077
CTD	affects(metabolic processing)			ABCB1		D004077
CTD	decreases(uptake)			ABCB1		D004077
CTD	increases(export)			ABCB1		D004077
CTD	increases(transport)			ABCB1		D004077
CTD	decreases(reaction)			ABCB1		D004077
CTD	increases(transport)			ABCB1		D004077
CTD	decreases(reaction)			ABCB1		D004077
CTD	increases(transport)			ABCB1		D004077
CTD	decreases(reaction)			ABCB1		D004077
CTD	increases(transport)			ABCB1		D004077
CTD	affects(reaction)			ABCB1		D004077
CTD	decreases(reaction)			ABCB1		D004077
CTD	increases(transport)			ABCB1		D004077
CTD	decreases(reaction)			ABCB1		D004077
CTD	increases(transport)			ABCB1		D004077
CTD	affects(reaction)			ABCB1		D004077
CTD	increases(transport)			ABCB1		D004077
CTD	decreases(reaction)			ABCB1		D004077
CTD	increases(transport)			ABCB1		D004077
CTD	decreases(response to substance)			ABCB1		D004077
CTD	affects(transport)			ABCB1		D004077
CTD	decreases(reaction)			ABCB1		D004077
CTD	decreases(reaction)			ABCB1		D004077
CTD	increases(transport)			ABCB1		D004077
CTD	decreases(activity)			ABCG2		D004077
CTD	decreases(expression)			CCL2		D004077
CTD	decreases(expression)			CCL4		D004077
CTD	decreases(expression)			CCL5		D004077
CTD	decreases(expression)			CXCL8		D004077
CTD	affects(ubiquitination)			FANCD2		D004077
CTD	decreases(reaction)			FANCD2		D004077
CTD	increases(expression)			FANCD2		D004077
CTD	affects(ubiquitination)			FANCI		D004077
CTD	decreases(reaction)			FANCI		D004077
CTD	increases(expression)			FANCI		D004077
CTD	affects(localization)			HIF1A		D004077
CTD	decreases(reaction)			HIF1A		D004077
CTD	increases(phosphorylation)			HIF1A		D004077
CTD	increases(activity)			HIF1A		D004077
CTD	increases(expression)			HIF1A		D004077
CTD	decreases(expression)			IL6R		D004077
CTD	decreases(response to substance)			INS		D004077
CTD	decreases(activity)			KCNH2		D004077
CTD	decreases(reaction)			KCNH2		D004077
CTD	decreases(metabolic processing)			KCNH2		D004077
CTD	decreases(expression)			KCNH2		D004077
CTD	affects(response to substance)			KCNH2		D004077
CTD	increases(expression)			NPPB		D004077
CTD	decreases(reaction)			SLC22A1		D004077
CTD	increases(uptake)			SLC22A1		D004077
CTD	decreases(reaction)			SLC22A3		D004077
CTD	increases(uptake)			SLC22A3		D004077
CTD	decreases(expression)			VEGFA		D004077
PubChem	None	uM		APP	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.062	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.103	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.137	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	0.258	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.338	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	0.396	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	1.496	AR	-	GI(Protien) :
PubChem	Potency	uM	0.164	ATAD5	-	GI(Protien) :
PubChem	Potency	uM	0.259	ATAD5	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	None	uM		EPAS1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.053	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.169	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	0.194	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.217	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.241	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	0.412	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	24.826	ESR1	-	GI(Protien) :
PubChem	None	uM		GALR3	-	GI(Protien) :
PubChem	Potency	uM	0.411	GMNN	-	GI(Protien) :
PubChem	None	uM		HIF1A	-	GI(Protien) :
PubChem	None	uM		HTR5A	-	GI(Protien) :
PubChem	Potency	uM	0.231	IDH1	-	GI(Protien) :
PubChem	None	uM		IL1B	-	GI(Protien) :
PubChem	None	uM		INS	-	GI(Protien) :
PubChem	None	uM		KLF5	-	GI(Protien) :
PubChem	None	uM		KLF5	-	GI(Protien) :
PubChem	None	uM		MC4R	-	GI(Protien) :
PubChem	None	uM		MDM2	-	GI(Protien) :
PubChem	None	uM		MDM2	-	GI(Protien) :
PubChem	None	uM		MDM4	-	GI(Protien) :
PubChem	None	uM		MDM4	-	GI(Protien) :
PubChem	None	uM		MITF	-	GI(Protien) :
PubChem	None	uM		NCOA1	-	GI(Protien) :
PubChem	None	uM		NCOA1	-	GI(Protien) :
PubChem	None	uM		NCOA2	-	GI(Protien) :
PubChem	None	uM		NCOA2	-	GI(Protien) :
PubChem	None	uM		NCOA3	-	GI(Protien) :
PubChem	None	uM		NCOA3	-	GI(Protien) :
PubChem	Potency	uM	0.058	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	0.130	NFE2L2	-	GI(Protien) :
PubChem	EC50	uM		NOD1	-	GI(Protien) :
PubChem	EC50	uM		NOD2	-	GI(Protien) :
PubChem	None	uM		NPY1R	-	GI(Protien) :
PubChem	None	uM		NPY2R	-	GI(Protien) :
PubChem	None	uM		NR2F2	-	GI(Protien) :
PubChem	None	uM		NR2F2	-	GI(Protien) :
PubChem	Potency	uM	0.562	NR3C1	-	GI(Protien) :
PubChem	Potency	uM	1.000	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR5A1	-	GI(Protien) :
PubChem	None	uM		NR5A2	-	GI(Protien) :
PubChem	None	uM		NR5A2	-	GI(Protien) :
PubChem	None	uM		OPRD1	-	GI(Protien) :
PubChem	None	uM		OPRM1	-	GI(Protien) :
PubChem	AC50_uM	uM	0.414	PAX8	-	GI(Protien) :
PubChem	None	uM		PAX8	-	GI(Protien) :
PubChem	None	uM		PTBP1	-	GI(Protien) :
PubChem	Potency	uM	1.683	RGS4	-	GI(Protien) :
PubChem	None	uM		SLC6A3	-	GI(Protien) :
PubChem	None	uM		SLC6A3	-	GI(Protien) :
PubChem	None	uM		SLC6A3	-	GI(Protien) :
PubChem	IC50	uM	1.862	STAT3	-	GI(Protien) :
PubChem	None	uM		STAT3	-	GI(Protien) :
PubChem	None	uM		STAT3	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	0.299	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.517	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.596	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.596	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.841	TDP1	-	GI(Protien) :
PubChem	Potency	uM	1.300	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.376	TNF	-	GI(Protien) :
PubChem	None	uM		TNF	-	GI(Protien) :
PubChem	None	uM		TNFSF10	-	GI(Protien) :
ChEMBL	Potency	nM	259.300	ATAD5	-	Target : CHEMBL1741209
ChEMBL	Potency	nM	163.500	ATAD5	-	Target : CHEMBL1741209
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	130.000	NFE2L2	-	Target : CHEMBL1075094
ChEMBL	IC50	nM	1862.000	STAT3	-	Target : CHEMBL4026

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