Tan Lab | DSigDB

Gene Set: D4 : CTD - 5-(N,N-hexamethylene)amiloride

Collection

D4 : CTD

Chemical Name

5-(N,N-hexamethylene)amiloride ( From PubChem : 5-(N,N-HEXAMETHYLENE)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
311.771 g/mol	3	8	2.553	True

Structure

InChI

InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)

InChIKey

Links

Gene (16 / 28)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(expression)			DDIT3		C057360
CTD	affects(expression)			HSP90B1		C057360
CTD	affects(expression)			HSPA5		C057360
CTD	increases(expression)			PPP1R15A		C057360
CTD	increases(expression)			PTGS2		C057360
PubChem	Potency	uM	16.354	ATAD5	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	50.119	EHMT2	-	GI(Protien) :
PubChem	None	uM		KCNK3	-	GI(Protien) :
PubChem	Potency	uM	44.668	MPHOSPH8	-	GI(Protien) :
PubChem	None	uM		MRGPRX1	-	GI(Protien) :
PubChem	None	uM		OPRD1	-	GI(Protien) :
PubChem	None	uM		OPRD1	-	GI(Protien) :
PubChem	None	uM		OPRM1	-	GI(Protien) :
PubChem	None	uM		OPRM1	-	GI(Protien) :
PubChem	None	uM		SLC5A7	-	GI(Protien) :
PubChem	None	uM		SLC5A7	-	GI(Protien) :
PubChem	Potency	uM	7.080	TDP1	-	GI(Protien) :
PubChem	Potency	uM	7.080	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	16353.500	ATAD5	-	Target : CHEMBL1741209
ChEMBL	AC50	nM	1000.000	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	5011.870	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	5011.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	50118.700	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	44668.400	MPHOSPH8	-	Target : CHEMBL1741210

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