Tan Lab | DSigDB

Gene Set: D4 : TTD - Riluzole

Collection

D4 : TTD

Chemical Name

Riluzole ( From PubChem : RILUZOLE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
234.198 g/mol	1	4	3.3583	True

Structure

InChI

InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)

InChIKey

Links

Gene (10 / 20)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Drug(s)			SCN11A		Successful target
TTD	Blocker			SCN11A		Successful target
PubChem	Potency-Replicate_1	uM	10.591	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	20.336	AHR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	23.915	AR	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	31.623	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	5.956	ESR1	-	GI(Protien) :
PubChem	None	uM		HTR1A	-	GI(Protien) :
PubChem	Potency	uM	10.322	NPC1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	10.322	RAB9A	-	GI(Protien) :
ChEMBL	AC50	nM	630.960	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	316.230	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	31622.800	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	31622.800	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	10322.500	NPC1	-	Target : CHEMBL1293277
ChEMBL	Potency	nM	10322.500	RAB9A	-	Target : CHEMBL1293294

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