Tan Lab | DSigDB

Gene Set: D1 - Approved - DOXORUBICIN

Collection

D1 : Approved

Chemical Name

DOXORUBICIN

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
543.519 g/mol	6	12	0.7016	False(1/4)

Structure

InChI

InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1

InChIKey

AOJJSUZBOXZQNB-TZSSRYMLSA-N

Links

Gene (20 / 43)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem		uM		ABCC3		GI(Protien) :
PubChem	GI50	uM	26.000	BCL2		GI(Protien) :
PubChem	GI50	uM	24.000	BCL2L1		GI(Protien) :
PubChem	IC50	uM	12.192	CASP1	-	GI(Protien) :
PubChem	IC50	uM	15.336	CHRM1	-	GI(Protien) :
PubChem		uM		CYP1A2		GI(Protien) :
PubChem		uM		CYP2C19		GI(Protien) :
PubChem		uM		CYP2C9		GI(Protien) :
PubChem		uM		CYP2D6		GI(Protien) :
PubChem	IC50	uM	0.150	DHCR7		GI(Protien) :
PubChem	IC50	uM	0.200	DHCR7		GI(Protien) :
PubChem	IC50	uM	0.300	DHCR7		GI(Protien) :
PubChem	IC50	uM	10.000	DHCR7		GI(Protien) :
PubChem	IC50	uM	0.150	EBP		GI(Protien) :
PubChem	IC50	uM	0.200	EBP		GI(Protien) :
PubChem	IC50	uM	0.300	EBP		GI(Protien) :
PubChem	IC50	uM	10.000	EBP		GI(Protien) :
PubChem	IC50	uM	2.485	ERBB2	-	GI(Protien) :
PubChem	IC50	uM	5.147	FYN	-	GI(Protien) :
PubChem	IC50	uM	31.913	LCK	-	GI(Protien) :
PubChem	Potency	uM	26.680	POLK	-	GI(Protien) :
PubChem	IC50	uM	41.000	SLCO1B3		GI(Protien) :
PubChem		uM		STK33	-	GI(Protien) :
PubChem	IC50	uM	20.000	TOP1		GI(Protien) :
PubChem		uM		TOP1		GI(Protien) :
PubChem	IC50	uM	1.000	TOP2A		GI(Protien) :
PubChem	IC50	uM	1.000	TOP2A		GI(Protien) :
PubChem		uM		TOP2A		GI(Protien) :
PubChem		uM		TOP2A		GI(Protien) :
PubChem		uM		TOP2B		GI(Protien) :
ChEMBL	Inhibition	-		ABCC3	-	Target : CHEMBL5918
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	26679.500	POLK	-	Target : CHEMBL5365
ChEMBL	Inhibition	-		TOP1	-	Target : CHEMBL1781
ChEMBL	Activity	-		TOP1	-	Target : CHEMBL1781
ChEMBL	Activity	-		TOP1	-	Target : CHEMBL1781
ChEMBL	Activity	-		TOP1	-	Target : CHEMBL1781
ChEMBL	Activity	-		TOP2A	-	Target : CHEMBL1806
ChEMBL	Inhibition	-		TOP2A	-	Target : CHEMBL1806
ChEMBL	Inhibition	-		TOP2A	-	Target : CHEMBL1806

Download gene sets

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