Tan Lab | DSigDB

Gene Set: D1 - Approved - CYTARABINE

Collection

D1 : Approved

Chemical Name

CYTARABINE

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
243.217 g/mol	4	8	-1.9818	True

Structure

InChI

InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1

InChIKey

Links

Gene (18 / 34)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem	Ratio Potency (uM)	uM	7.761	AR	-	GI(Protien) :
PubChem		uM		BARD1	-	GI(Protien) :
PubChem		uM		BRCA1	-	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		uM		JAK2	-	GI(Protien) :
PubChem		uM		MDM2	-	GI(Protien) :
PubChem		uM		MDM2	-	GI(Protien) :
PubChem		uM		MDM4	-	GI(Protien) :
PubChem		uM		MDM4	-	GI(Protien) :
PubChem	IC50	uM	7.533	NCOA3	-	GI(Protien) :
PubChem		uM		POLA1	-	GI(Protien) :
PubChem		uM		POLD1	-	GI(Protien) :
PubChem		uM		POLE	-	GI(Protien) :
PubChem	Potency	uM	0.037	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.041	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.094	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.119	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.154	TP53	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.318	TP53	-	GI(Protien) :
PubChem	Potency	uM	0.422	TP53	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.794	TP53	-	GI(Protien) :
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	11220.200	EHMT2	-	Target : CHEMBL6032
ChEMBL	IC50	nM	7533.000	NCOA3	-	Target : CHEMBL1615382

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