Tan Lab | DSigDB

Gene Set: D4 : CTD - pregna-4,17-diene-3,16-dione

Collection

D4 : CTD

Chemical Name

pregna-4,17-diene-3,16-dione ( From PubChem : PREGNA-4,17(20)-DIENE-3,16-DIONE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
312.446 g/mol	0	2	4.6436	True

Structure

InChI

InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1

InChIKey

WDXRGPWQVHZTQJ-OSJVMJFVSA-N

Links

Gene (40 / 93)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(cotreatment)			ABCB11		C023617
CTD	increases(expression)			ABCB11		C023617
CTD	decreases(reaction)			ABCB11		C023617
CTD	increases(expression)			ABCB11		C023617
CTD	decreases(reaction)			BCL2		C023617
CTD	increases(expression)			BCL2		C023617
CTD	decreases(reaction)			BCL2A1		C023617
CTD	increases(expression)			BCL2A1		C023617
CTD	increases(cleavage)			BID		C023617
CTD	decreases(reaction)			BIRC2		C023617
CTD	increases(expression)			BIRC2		C023617
CTD	decreases(reaction)			BIRC5		C023617
CTD	increases(expression)			BIRC5		C023617
CTD	increases(activity)			CASP3		C023617
CTD	increases(activity)			CASP8		C023617
CTD	increases(activity)			CASP9		C023617
CTD	increases(expression)			CBR3		C023617
CTD	decreases(reaction)			CCND1		C023617
CTD	increases(expression)			CCND1		C023617
CTD	decreases(expression)			CCND1		C023617
CTD	decreases(expression)			CDK1		C023617
CTD	increases(expression)			CDKN1A		C023617
CTD	increases(expression)			CDKN1B		C023617
CTD	decreases(reaction)			CFLAR		C023617
CTD	increases(expression)			CFLAR		C023617
CTD	affects(localization)			CYC1		C023617
CTD	increases(expression)			CYP3A4		C023617
CTD	decreases(reaction)			CYP7A1		C023617
CTD	increases(expression)			CYP7A1		C023617
CTD	increases(expression)			GCLC		C023617
CTD	increases(expression)			GCLM		C023617
CTD	decreases(reaction)			IL1B		C023617
CTD	increases(activity)			IL1B		C023617
CTD	increases(activity)			MAPK8		C023617
CTD	decreases(reaction)			MMP9		C023617
CTD	increases(expression)			MMP9		C023617
CTD	decreases(reaction)			MYC		C023617
CTD	increases(expression)			MYC		C023617
CTD	decreases(reaction)			NFKB1		C023617
CTD	increases(activity)			NFKB1		C023617
CTD	decreases(reaction)			NFKBIA		C023617
CTD	increases(degradation)			NFKBIA		C023617
CTD	increases(phosphorylation)			NFKBIA		C023617
CTD	increases(expression)			NQO1		C023617
CTD	increases(abundance)			NR1H4		C023617
CTD	increases(reaction)			NR1H4		C023617
CTD	decreases(reaction)			NR1H4		C023617
CTD	increases(expression)			NR1H4		C023617
CTD	decreases(reaction)			NR1I2		C023617
CTD	increases(expression)			NR1I2		C023617
CTD	decreases(activity)			NR1I2		C023617
CTD	increases(activity)			NR1I2		C023617
CTD	decreases(reaction)			PTGS2		C023617
CTD	increases(expression)			PTGS2		C023617
CTD	decreases(reaction)			RELA		C023617
CTD	increases(activity)			RELA		C023617
CTD	affects(localization)			RELA		C023617
CTD	increases(phosphorylation)			RELA		C023617
CTD	decreases(reaction)			TNF		C023617
CTD	increases(activity)			TNF		C023617
CTD	increases(degradation)			TNF		C023617
CTD	increases(expression)			TNF		C023617
CTD	affects(localization)			TNF		C023617
CTD	increases(phosphorylation)			TNF		C023617
CTD	decreases(reaction)			TRAF1		C023617
CTD	increases(expression)			TRAF1		C023617
CTD	decreases(reaction)			VEGFA		C023617
CTD	increases(expression)			VEGFA		C023617
CTD	decreases(reaction)			XIAP		C023617
CTD	increases(expression)			XIAP		C023617
PubChem	Potency-Replicate_1	uM	2.448	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	3.082	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	8.609	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	8.609	AR	-	GI(Protien) :
PubChem	Potency	uM	44.668	AR	-	GI(Protien) :
PubChem	Potency	uM	1.000	CYP3A4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	34.271	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	19.446	HSPB1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	28.543	HSPB1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.418	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	3.758	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	35.481	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	9.579	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	10.343	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	11.285	AR	-	GI(Protien) :
PubChem	Potency	uM	44.668	AR	-	GI(Protien) :
PubChem	Potency	uM	39.811	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.755	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	2.985	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	8.537	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
ChEMBL	Potency	nM	1000.000	CYP3A4	-	Target : CHEMBL340

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