Tan Lab | DSigDB

Gene Set: D4 : CTD - hydramethylnon

Collection

D4 : CTD

Chemical Name

hydramethylnon ( From PubChem : HYDRAMETHYLNON )

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
494.475 g/mol	2	4	6.5371	False(3/4)

Structure

InChI

InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)/b13-7+,14-8+

InChIKey

IQVNEKKDSLOHHK-FNCQTZNRSA-N

Links

Gene (8 / 15)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(binding)			ABCB1		C041642
CTD	decreases(reaction)			ABCB1		C041642
CTD	increases(export)			ABCB1		C041642
PubChem	Potency-Replicate_1	uM	1.220	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	1.933	AHR	-	GI(Protien) :
PubChem	Potency	uM	35.481	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	8.635	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	3.064	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	7.468	ESR1	-	GI(Protien) :
PubChem	Potency	uM	14.125	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	48.966	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	19.494	NR1H4	-	GI(Protien) :
PubChem	Potency	uM	31.623	NR1H4	-	GI(Protien) :
PubChem	Potency	uM	39.811	PPARD	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.801	VDR	-	GI(Protien) :

Download gene sets

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