Tan Lab | DSigDB

Gene Set: D1 - Approved - 6-MERCAPTOPURINE

Collection

D1 : Approved

Chemical Name

6-MERCAPTOPURINE

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
152.177 g/mol	2	3	1.0155	True

Structure

InChI

InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

InChIKey

GLVAUDGFNGKCSF-UHFFFAOYSA-N

Links

Gene (18 / 43)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem	AhR Potency (uM)	uM	21.132	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	21.156	AHR	-	GI(Protien) :
PubChem	Potency	uM	23.737	AHR	-	GI(Protien) :
PubChem	Potency	uM	7.943	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	50.119	BAZ2B	-	GI(Protien) :
PubChem		uM		CYP1A2		GI(Protien) :
PubChem		uM		CYP2C19		GI(Protien) :
PubChem		uM		CYP2C9		GI(Protien) :
PubChem		uM		CYP2D6		GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem	Potency	uM	3.162	HBB	-	GI(Protien) :
PubChem	Potency	uM	6.310	HBB	-	GI(Protien) :
PubChem	Km	uM	1.150	HPRT1		GI(Protien) :
PubChem	Km	uM	3.000	HPRT1		GI(Protien) :
PubChem	Potency	uM	2.593	IDH1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	3.762	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	4.736	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	7.497	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	9.438	NFE2L2	-	GI(Protien) :
PubChem	IC50	uM	16.242	PTGS1	-	GI(Protien) :
PubChem	Potency	uM	18.837	TDP1	-	GI(Protien) :
PubChem		uM		TNFRSF10B	-	GI(Protien) :
PubChem	Potency	uM	5.314	TP53	-	GI(Protien) :
PubChem	Potency	uM	7.943	TP53	-	GI(Protien) :
PubChem	Potency	uM	8.413	TP53	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	8.422	TP53	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	8.658	TP53	-	GI(Protien) :
ChEMBL	Potency	nM	7943.300	ALDH1A1	-	Target : CHEMBL3577
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	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	3162.300	HBB	-	Target : CHEMBL4331
ChEMBL	Potency	nM	6309.600	HBB	-	Target : CHEMBL4331
ChEMBL	Potency	nM	2592.900	IDH1	-	Target : CHEMBL2007625
ChEMBL	Potency	nM	6309.600	KDM4A	-	Target : CHEMBL5896
ChEMBL	Potency	nM	19952.600	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	31622.800	TDP1	-	Target : CHEMBL1075138
ChEMBL	Potency	nM	7943.300	TP53	-	Target : CHEMBL4096

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