Tan Lab | DSigDB

Gene Set: D1 - Approved - AZATHIOPRINE

Collection

D1 : Approved

Chemical Name

AZATHIOPRINE

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
277.263 g/mol	1	6	1.669	True

Structure

InChI

InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)

InChIKey

LMEKQMALGUDUQG-UHFFFAOYSA-N

Links

Gene (16 / 45)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem		uM		ABCB1	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	22.553	AHR	-	GI(Protien) :
PubChem	Potency	uM	27.140	AHR	-	GI(Protien) :
PubChem	Potency	uM	0.206	ATAD5	-	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	0.316	HBB	-	GI(Protien) :
PubChem	Potency	uM	1.585	HBB	-	GI(Protien) :
PubChem	Potency	uM	1.995	HBB	-	GI(Protien) :
PubChem	Potency	uM	2.512	HBB	-	GI(Protien) :
PubChem	Potency	uM	4.109	IDH1	-	GI(Protien) :
PubChem		uM		JAK2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	7.522	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	8.412	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	10.191	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	27.306	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	37.578	NFE2L2	-	GI(Protien) :
PubChem		uM		PPAT		GI(Protien) :
PubChem		uM		STK33	-	GI(Protien) :
PubChem		uM		TNFRSF10B	-	GI(Protien) :
PubChem	Potency	uM	24.188	TP53	-	GI(Protien) :
PubChem	Potency	uM	25.119	TP53	-	GI(Protien) :
PubChem	Potency	uM	28.184	TP53	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	32.230	TP53	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	34.818	TP53	-	GI(Protien) :
ChEMBL	Potency	nM	205.900	ATAD5	-	Target : CHEMBL1741209
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	1995.260	HBB	-	Target : CHEMBL4331
ChEMBL	Potency	nM	1584.900	HBB	-	Target : CHEMBL4331
ChEMBL	Potency	nM	2511.900	HBB	-	Target : CHEMBL4331
ChEMBL	Potency	nM	316.200	HBB	-	Target : CHEMBL4331
ChEMBL	Potency	nM	4109.500	IDH1	-	Target : CHEMBL2007625
ChEMBL	Potency	nM	37578.000	NFE2L2	-	Target : CHEMBL1075094
ChEMBL	Potency	nM	27306.000	NFE2L2	-	Target : CHEMBL1075094
ChEMBL	Potency	nM	28183.800	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	25118.900	TP53	-	Target : CHEMBL4096

Download gene sets

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