Tan Lab | DSigDB

Gene Set: D4 : CTD - N,N-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide

Collection

D4 : CTD

Chemical Name

N,N-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide ( From PubChem : FGIN-1-27 )

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
436.605 g/mol	1	2	7.5057	False(3/4)

Structure

InChI

InChI=1S/C28H37FN2O/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)21-25-24-13-9-10-14-26(24)30-28(25)22-15-17-23(29)18-16-22/h9-10,13-18,30H,3-8,11-12,19-21H2,1-2H3

InChIKey

VUWXAQFLTSBUDB-UHFFFAOYSA-N

Links

Gene (11 / 22)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(expression)			BAX		C081306
CTD	decreases(expression)			BCL2		C081306
CTD	decreases(expression)			BCL2L1		C081306
CTD	increases(activity)			CASP3		C081306
CTD	increases(expression)			CYP2B6		C081306
CTD	increases(expression)			CYP3A4		C081306
PubChem	Potency	uM	3.981	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	2.512	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	Potency	uM	26.774	GMNN	-	GI(Protien) :
PubChem	Potency	uM	9.441	TDP1	-	GI(Protien) :
PubChem	Potency	uM	10.593	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.995	TDP1	-	GI(Protien) :
ChEMBL	AC50	nM	3981.070	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	3981.100	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	2511.890	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	2511.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	26773.700	GMNN	-	Target : CHEMBL1293278
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159

Download gene sets

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