Tan Lab | DSigDB

Gene Set: D4 : CTD - Pregnenolone Carbonitrile

Collection

D4 : CTD

Chemical Name

Pregnenolone Carbonitrile ( From PubChem : PREGNENOLONE CARBONITRILE )

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
341.487 g/mol	1	3	4.26498	True

Structure

InChI

InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1

InChIKey

VSBHRRMYCDQLJF-ZDNYCOCVSA-N

Links

Gene (21 / 37)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(activity)			ABCC3		D011285
CTD	increases(expression)			ABCC3		D011285
CTD	increases(expression)			CYP3A4		D011285
CTD	increases(reaction)			CYP3A4		D011285
CTD	increases(expression)			CYP3A4		D011285
CTD	increases(activity)			NR1I2		D011285
CTD	increases(activity)			NR1I2		D011285
CTD	increases(expression)			NR1I2		D011285
CTD	increases(activity)			NR1I2		D011285
CTD	increases(expression)			NR1I2		D011285
CTD	increases(expression)			NR3C1		D011285
CTD	increases(reaction)			NR3C1		D011285
CTD	increases(expression)			PPARA		D011285
CTD	increases(expression)			SLCO1A2		D011285
CTD	increases(activity)			SULT2A1		D011285
CTD	increases(expression)			SULT2A1		D011285
CTD	increases(activity)			UGT1A1		D011285
CTD	increases(expression)			UGT1A1		D011285
CTD	increases(expression)			UGT1A10		D011285
CTD	increases(expression)			UGT1A3		D011285
CTD	increases(activity)			UGT1A4		D011285
CTD	increases(activity)			UGT1A4		D011285
CTD	increases(glucuronidation)			UGT1A4		D011285
CTD	increases(expression)			UGT1A4		D011285
CTD	increases(expression)			UGT1A5		D011285
CTD	increases(expression)			UGT1A6		D011285
CTD	increases(expression)			UGT1A7		D011285
CTD	increases(expression)			UGT1A8		D011285
CTD	increases(expression)			UGT1A9		D011285
PubChem	Potency-Replicate_1	uM	33.105	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	33.105	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	10.561	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	12.589	TDP1	-	GI(Protien) :
PubChem	None	uM		TNNC1	-	GI(Protien) :
PubChem	None	uM		TNNI3	-	GI(Protien) :
PubChem	None	uM		TNNT2	-	GI(Protien) :

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