Tan Lab | DSigDB

Gene Set: D4 : CTD - flupirtine

Collection

D4 : CTD

Chemical Name

flupirtine ( From PubChem : FLUPIRTINE )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Not	Not	Not	Approved	Not	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
304.319 g/mol	3	6	3.7106	True

Structure

InChI

InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)

InChIKey

Links

Gene (14 / 25)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(activity)			ABCB11		C034161
CTD	increases(expression)			BCL2		C034161
CTD	decreases(expression)			CASP2		C034161
CTD	decreases(expression)			TIA1		C034161
PubChem	Potency	uM	39.811	CBX1	-	GI(Protien) :
PubChem	Potency	uM	31.623	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	1.192	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	50.119	EYA2	-	GI(Protien) :
PubChem	Potency	uM	12.589	GLS	-	GI(Protien) :
PubChem	Potency	uM	3.981	HIF1A	-	GI(Protien) :
PubChem	Potency	uM	8.429	RGS4	-	GI(Protien) :
PubChem	Potency	uM	6.310	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	39810.700	CBX1	-	Target : CHEMBL1741193
ChEMBL	AC50	nM	31622.800	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	31622.800	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	7943.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	7943.280	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	1191.700	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	50118.700	EYA2	-	Target : CHEMBL1293275
ChEMBL	Potency	nM	3981.100	HIF1A	-	Target : CHEMBL4261
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	25118.900	HSD17B10	-	Target : CHEMBL4159

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