Tan Lab | DSigDB

Gene Set: D4 : CTD - tris(2,3-dibromopropyl)phosphate

Collection

D4 : CTD

Chemical Name

tris(2,3-dibromopropyl)phosphate ( From PubChem : TRIS(2,3-DIBROMOPROPYL) PHOSPHATE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
697.611 g/mol	0	4	5.6195	False(2/4)

Structure

InChI

InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2/t7-,8-,9-/m0/s1

InChIKey

Links

Gene (10 / 20)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(metabolic processing)			CYP3A4		C012085
CTD	affects(metabolic processing)			GSTA1		C012085
CTD	increases(response to substance)			GSTA1		C012085
CTD	affects(metabolic processing)			GSTP1		C012085
CTD	increases(response to substance)			GSTP1		C012085
PubChem	Ratio Potency (uM)	uM	13.455	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.981	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	60.262	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	61.940	CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	35.481	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	44.736	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	46.486	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	49.608	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	62.453	ESR1	-	GI(Protien) :
PubChem	Potency	uM	15.355	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	46.486	NR1H4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	55.661	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	44.213	PPARG	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :

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