Tan Lab | DSigDB

Gene Set: D4 : CTD - Anethole Trithione

Collection

D4 : CTD

Chemical Name

Anethole Trithione ( From PubChem : ANETHOLE TRITHIONE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
240.365 g/mol	0	4	4.2147	True

Structure

InChI

InChI=1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3

InChIKey

Links

Gene (18 / 28)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(expression)			CALCA		D000781
CTD	increases(activity)			CAT		D000781
CTD	increases(activity)			GSR		D000781
CTD	increases(activity)			GSS		D000781
CTD	affects(binding)			NFKB1		D000781
CTD	decreases(reaction)			NFKB1		D000781
CTD	increases(activity)			NFKB1		D000781
CTD	decreases(reaction)			PTK2		D000781
CTD	increases(phosphorylation)			PTK2		D000781
CTD	decreases(reaction)			PXN		D000781
CTD	increases(phosphorylation)			PXN		D000781
CTD	affects(binding)			RELA		D000781
CTD	decreases(reaction)			RELA		D000781
CTD	increases(activity)			RELA		D000781
CTD	increases(expression)			TAC1		D000781
CTD	affects(binding)			TNF		D000781
CTD	decreases(reaction)			TNF		D000781
CTD	increases(activity)			TNF		D000781
PubChem	Potency-Replicate_1	uM	29.849	AHR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	21.314	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	23.915	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	31.015	HSPB1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.332	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	14.122	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	18.837	TDP1	-	GI(Protien) :
PubChem	Potency	uM	39.811	VDR	-	GI(Protien) :
ChEMBL	Inhibition	-		PTPN1	-	Target : CHEMBL335

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