Tan Lab | DSigDB

Gene Set: D4 : TTD - Plumbagin

Collection

D4 : TTD

Chemical Name

Plumbagin ( From PubChem : PLUMBAGIN )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
188.179 g/mol	1	3	1.7175	True

Structure

InChI

InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3

InChIKey

VCMMXZQDRFWYSE-UHFFFAOYSA-N

Links

Gene (19 / 47)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			DHODH		Successful target
PubChem	Potency	uM	15.849	ALDH1A1	-	GI(Protien) :
PubChem	None	uM		GAPDH	-	GI(Protien) :
PubChem	Potency	uM	25.119	HPGD	-	GI(Protien) :
PubChem	Potency	uM	5.623	MAPK1	-	GI(Protien) :
PubChem	Potency	uM	7.080	MAPK1	-	GI(Protien) :
PubChem	Potency	uM	0.562	MAPT	-	GI(Protien) :
PubChem	Potency	uM	0.631	MAPT	-	GI(Protien) :
PubChem	Potency	uM	2.512	MAPT	-	GI(Protien) :
PubChem	Potency	uM	3.162	MAPT	-	GI(Protien) :
PubChem	None	uM		MITF	-	GI(Protien) :
PubChem	Potency	uM	10.000	POLK	-	GI(Protien) :
PubChem	None	uM		PTGER2	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	1.158	TDP1	-	GI(Protien) :
PubChem	Potency	uM	1.158	TDP1	-	GI(Protien) :
PubChem	Potency	uM	2.661	TDP1	-	GI(Protien) :
PubChem	Potency	uM	2.661	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.794	TP53	-	GI(Protien) :
PubChem	Potency	uM	3.981	TP53	-	GI(Protien) :
PubChem	Potency	uM	6.310	TP53	-	GI(Protien) :
PubChem	Potency	uM	10.000	TP53	-	GI(Protien) :
PubChem	Potency	uM	17.783	USP1	-	GI(Protien) :
PubChem	Potency	uM	0.891	VDR	-	GI(Protien) :
PubChem	Potency	uM	7.943	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	15848.900	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Inhibition	-		EGFR	-	Target : CHEMBL203
ChEMBL	Inhibition	-		EGFR	-	Target : CHEMBL203
ChEMBL	Inhibition	-		EGFR	-	Target : CHEMBL203
ChEMBL	Inhibition	-		ERBB2	-	Target : CHEMBL1824
ChEMBL	Inhibition	-		ERBB2	-	Target : CHEMBL1824
ChEMBL	Potency	nM	25118.900	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	12589.300	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	8912.500	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	5623.400	MAPK1	-	Target : CHEMBL4040
ChEMBL	Potency	nM	7079.500	MAPK1	-	Target : CHEMBL4040
ChEMBL	Potency	nM	2238.700	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	891.300	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	3162.300	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	631.000	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	562.300	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	2511.900	MAPT	-	Target : CHEMBL1293224
ChEMBL	Inhibition	-		RELA	-	Target : CHEMBL5533
ChEMBL	Potency	nM	6309.600	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	794.300	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	3981.100	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	10000.000	TP53	-	Target : CHEMBL4096

Download gene sets

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