Tan Lab | DSigDB

Gene Set: D4 : TTD - Zafirlukast

Collection

D4 : TTD

Chemical Name

Zafirlukast ( From PubChem : ZAFIRLUKAST )

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
575.675 g/mol	2	9	7.2406	False(2/4)

Structure

InChI

InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)

InChIKey

YEEZWCHGZNKEEK-UHFFFAOYSA-N

Links

Gene (29 / 39)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			CYSLTR1		Successful target
TTD	Drug(s)			CYSLTR1		Successful target
PubChem	AhR Potency (uM)	uM	22.384	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	26.603	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	23.915	AR	-	GI(Protien) :
PubChem	Potency	uM	50.119	BAZ2B	-	GI(Protien) :
PubChem	None	uM		BCL2L1	-	GI(Protien) :
PubChem	IC50	uM		CACNA1B	-	GI(Protien) :
PubChem	None	uM		CACNA1H	-	GI(Protien) :
PubChem	IC50	uM		EIF4H	-	GI(Protien) :
PubChem	None	uM		GFER	-	GI(Protien) :
PubChem	Potency	uM	21.136	GMNN	-	GI(Protien) :
PubChem	Potency	uM	7.080	KAT2A	-	GI(Protien) :
PubChem	Potency	uM	22.387	KAT2A	-	GI(Protien) :
PubChem	None	uM		KCNQ1	-	GI(Protien) :
PubChem	Potency	uM	28.184	MAPK1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	29.847	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	29.847	NFE2L2	-	GI(Protien) :
PubChem	EC50	uM		NOD1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	11.986	NR3C1	-	GI(Protien) :
PubChem	None	uM		NRP2	-	GI(Protien) :
PubChem	Potency	uM	56.234	POLB	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.169	PPARG	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.197	PPARG	-	GI(Protien) :
PubChem	None	uM		PPP1CA	-	GI(Protien) :
PubChem	IC50	uM		SAE1	-	GI(Protien) :
PubChem	IC50	uM		UBA2	-	GI(Protien) :
PubChem	IC50	uM		UBE2I	-	GI(Protien) :
PubChem	Potency	uM	35.481	USP1	-	GI(Protien) :
PubChem	Potency	uM	50.119	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	50118.700	BAZ2B	-	Target : CHEMBL1741220
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	22387.200	KAT2A	-	Target : CHEMBL5501
ChEMBL	Potency	nM	7079.500	KAT2A	-	Target : CHEMBL5501
ChEMBL	Potency	nM	28183.800	MAPK1	-	Target : CHEMBL4040
ChEMBL	Potency	nM	56234.100	POLB	-	Target : CHEMBL2392

Download gene sets

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