Tan Lab | DSigDB

Gene Set: D4 : CTD - 5-(N-methyl-N-isobutyl)amiloride

Collection

D4 : CTD

Chemical Name

5-(N-methyl-N-isobutyl)amiloride ( From PubChem : 5-(N-METHYL-N-ISOBUTYL)AMILORIDE )

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
299.76 g/mol	3	8	2.1998	True

Structure

InChI

InChI=1S/C11H18ClN7O/c1-5(2)4-19(3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)

InChIKey

Links

Gene (9 / 25)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(reaction)			CCL2		C056369
CTD	increases(expression)			CCL2		C056369
CTD	decreases(reaction)			CXCL8		C056369
CTD	increases(secretion)			CXCL8		C056369
CTD	decreases(reaction)			CXCL8		C056369
CTD	increases(expression)			CXCL8		C056369
CTD	decreases(reaction)			IL1B		C056369
CTD	increases(secretion)			IL1B		C056369
CTD	affects(localization)			NFKB1		C056369
CTD	decreases(reaction)			NFKB1		C056369
CTD	increases(activity)			NFKB1		C056369
CTD	affects(localization)			RELA		C056369
CTD	decreases(reaction)			RELA		C056369
CTD	increases(activity)			RELA		C056369
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	39.811	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	1.995	KCNH2		GI(Protien) :
PubChem	Potency	uM	1.995	KCNH2		GI(Protien) :
PubChem	Potency	uM	44.668	MPHOSPH8	-	GI(Protien) :
ChEMBL	AC50	nM	794.330	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	39810.700	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	39810.700	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	44668.400	MPHOSPH8	-	Target : CHEMBL1741210

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