Tan Lab | DSigDB

Gene Set: D4 : TTD - Pregnenolone-16alpha-carbonitrile (PCN)

Collection

D4 : TTD

Chemical Name

Pregnenolone-16alpha-carbonitrile (PCN) ( 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 (7 / 9)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Ligand			NR1I2		Research target
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) :

Download gene sets

gmt, text, Detailed text

Contact us
Tan Lab , Mail Stop 8117
12801 East 17th Avenue
Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA

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