Tan Lab | DSigDB

Gene Set: D4 : TTD - Salmeterol xinafoate

Collection

D4 : TTD

Chemical Name

Salmeterol xinafoate ( From PubChem : SALMETEROL XINAFOATE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
603.745 g/mol	6	8	6.7419	False(1/4)

Structure

InChI

InChI=1S/C25H37NO4.C11H8O3/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2;1-6,12H,(H,13,14)

InChIKey

XTZNCVSCVHTPAI-UHFFFAOYSA-N

Links

Gene (12 / 24)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Agonist			ADRB2		Successful target
TTD	Drug(s)			ADRB2		Successful target
PubChem	EC50_MICROM	uM	0.004	ADRB2	-	GI(Protien) :
PubChem	Potency	uM	23.109	ADRB2	-	GI(Protien) :
PubChem	None	uM		ADRB2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	26.603	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	29.849	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	26.603	CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	35.481	EHMT2	-	GI(Protien) :
PubChem	None	uM		GALR3	-	GI(Protien) :
PubChem	None	uM		GALR3	-	GI(Protien) :
PubChem	Potency	uM	16.360	IDH1	-	GI(Protien) :
PubChem	Potency	uM	3.548	KCNH2		GI(Protien) :
PubChem	Potency	uM	3.548	KCNH2		GI(Protien) :
PubChem	None	uM		PTGER2	-	GI(Protien) :
PubChem	Potency	uM	5.957	TDP1	-	GI(Protien) :
PubChem	Potency	uM	7.499	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.995	TDP1	-	GI(Protien) :
PubChem	Potency	uM	10.000	THPO	-	GI(Protien) :
PubChem	Potency	uM	12.589	TP53	-	GI(Protien) :
ChEMBL	Potency	nM	35481.300	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	25118.900	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	10000.000	THPO	-	Target : CHEMBL1293256
ChEMBL	Potency	nM	12589.300	TP53	-	Target : CHEMBL4096

Download gene sets

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