Tan Lab | DSigDB

Gene Set: D4 : CTD - LY 171883

Collection

D4 : CTD

Chemical Name

LY 171883 ( From PubChem : TOMELUKAST )

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
318.371 g/mol	2	6	2.4621	True

Structure

InChI

InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)

InChIKey

Links

Gene (7 / 17)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(binding)			CYSLTR1		C044660
CTD	increases(activity)			CYSLTR1		C044660
CTD	decreases(reaction)			CYSLTR1		C044660
CTD	affects(binding)			PPARA		C044660
CTD	increases(activity)			PPARA		C044660
PubChem	Potency	uM	2.512	CYP3A4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	23.915	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.989	PPARG	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	2.187	PPARG	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	3.336	PPARG	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	8.708	PPARG	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
PubChem	Potency	uM	21.136	TDP1	-	GI(Protien) :
PubChem	Potency	uM	23.715	TDP1	-	GI(Protien) :
PubChem	Potency	uM	44.668	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	2511.900	CYP3A4	-	Target : CHEMBL340

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