Tan Lab | DSigDB

Gene Set: D4 : TTD - Phenylbutazone

Collection

D4 : TTD

Chemical Name

Phenylbutazone ( From PubChem : PHENYLBUTAZONE )

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
308.374 g/mol	0	4	3.9178	True

Structure

InChI

InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3

InChIKey

Links

Gene (14 / 22)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			PTGS2		Successful target
TTD	Drug(s)			PTGS2		Successful target
PubChem	Potency	uM	10.000	EHMT2	-	GI(Protien) :
PubChem	None	uM		ESR1	-	GI(Protien) :
PubChem	None	uM		ESR2	-	GI(Protien) :
PubChem	IC50_MICROM	uM	5.300	FPR1	-	GI(Protien) :
PubChem	None	uM		FPR1	-	GI(Protien) :
PubChem	None	uM		FPR1	-	GI(Protien) :
PubChem	None	uM		FPR1	-	GI(Protien) :
PubChem	None	uM		ITGA4	-	GI(Protien) :
PubChem	None	uM		ITGA4	-	GI(Protien) :
PubChem	None	uM		MCL1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	7.943	NR1I2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	44.668	NR1I2	-	GI(Protien) :
ChEMBL	Activity	-		ALB	-	Target : CHEMBL3253
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	10000.000	EHMT2	-	Target : CHEMBL6032

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