Tan Lab | DSigDB

Gene Set: D4 : CTD - metolachlor

Collection

D4 : CTD

Chemical Name

metolachlor ( From PubChem : METOLACHLOR )

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
283.794 g/mol	0	3	3.1641	True

Structure

InChI

InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3/t12-/m1/s1

InChIKey

Links

Gene (12 / 34)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(reaction)			ABCB1		C051786
CTD	increases(response to substance)			ABCB1		C051786
CTD	increases(activity)			ABCB1		C051786
CTD	decreases(expression)			CCNA2		C051786
CTD	increases(activity)			CYP19A1		C051786
CTD	affects(cotreatment)			CYP1A1		C051786
CTD	decreases(response to substance)			CYP1A1		C051786
CTD	increases(activity)			CYP1A1		C051786
CTD	increases(activity)			CYP1A2		C051786
CTD	affects(cotreatment)			CYP2B6		C051786
CTD	decreases(response to substance)			CYP2B6		C051786
CTD	decreases(response to substance)			CYP2B6		C051786
CTD	increases(degradation)			CYP2B6		C051786
CTD	decreases(response to substance)			CYP2B6		C051786
CTD	increases(metabolic processing)			CYP2B6		C051786
CTD	increases(metabolic processing)			CYP2B6		C051786
CTD	affects(cotreatment)			CYP2C19		C051786
CTD	decreases(response to substance)			CYP2C19		C051786
CTD	increases(metabolic processing)			CYP3A4		C051786
CTD	increases(expression)			CYP3A4		C051786
CTD	increases(activity)			NFE2L2		C051786
CTD	affects(binding)			NR1I2		C051786
CTD	increases(activity)			NR1I2		C051786
CTD	increases(activity)			NR1I2		C051786
PubChem	Ratio Potency (uM)	uM	44.398	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	51.340	AR	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	8.137	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	11.943	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	14.777	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	19.331	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	24.337	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.872	PPARG	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :

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