Tan Lab | DSigDB

Gene Set: D1 - Approved - DICUMAROL

Collection

D1 : Approved

Chemical Name

DICUMAROL

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
336.295 g/mol	2	6	2.9014	True

Structure

InChI

InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2

InChIKey

Links

Gene (11 / 25)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem	Potency	uM	6.310	ALDH1A1	-	GI(Protien) :
PubChem		uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.025	CYP2C9	-	GI(Protien) :
PubChem	IC50	uM	0.300	CYP2C9	-	GI(Protien) :
PubChem		uM		CYP2C9	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	2.565	ESR1	-	GI(Protien) :
PubChem	Potency	uM	5.117	ESR1	-	GI(Protien) :
PubChem	Ki	uM	0.039	GPR35		GI(Protien) :
PubChem	EC50	uM	1.300	GPR35		GI(Protien) :
PubChem	EC50	uM	9.780	GPR35		GI(Protien) :
PubChem	IC50	uM	4.426	MAPK1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	3.616	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	7.497	NFE2L2	-	GI(Protien) :
PubChem	IC50	uM	0.003	NQO1		GI(Protien) :
PubChem	IC50	uM	0.005	NQO1		GI(Protien) :
PubChem	IC50	uM	0.404	NQO1		GI(Protien) :
PubChem	IC50	uM	0.450	NQO1		GI(Protien) :
PubChem	IC50	uM	0.450	NQO1		GI(Protien) :
PubChem		uM		PPARG	-	GI(Protien) :
PubChem	Potency	uM	0.639	TP53	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.136	TP53	-	GI(Protien) :
PubChem		uM		VKORC1		GI(Protien) :
ChEMBL	Potency	nM	6309.600	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	25.100	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	25.120	CYP2C9	-	Target : CHEMBL3397

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