Tan Lab | DSigDB

Gene Set: D4 : TTD - PIRINIXIC ACID

Collection

D4 : TTD

Chemical Name

PIRINIXIC ACID ( From PubChem : PIRINIXIC ACID )

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
323.798 g/mol	2	5	3.7401	True

Structure

InChI

InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)

InChIKey

Links

Gene (11 / 22)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			PPARA		Successful target
PubChem	Potency	uM	10.000	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	3.162	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	6.310	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	25.119	HPGD	-	GI(Protien) :
PubChem	None	uM		NR5A1	-	GI(Protien) :
PubChem	None	uM		NR5A2	-	GI(Protien) :
PubChem	None	uM		NR6A1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	8.703	PPARG	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	9.340	PPARG	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	9.521	PPARG	-	GI(Protien) :
PubChem	None	uM		RORB	-	GI(Protien) :
PubChem	None	uM		RXRA	-	GI(Protien) :
ChEMBL	Potency	nM	10000.000	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	AC50	nM	3162.280	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	3162.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	6309.600	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	25118.900	HPGD	-	Target : CHEMBL1293255
ChEMBL	Activity	-		PPARA	-	Target : CHEMBL239
ChEMBL	Activity	-		PPARA	-	Target : CHEMBL239
ChEMBL	Activity	-		PPARA	-	Target : CHEMBL239

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