Tan Lab | DSigDB

Gene Set: D4 : CTD - acetochlor

Collection

D4 : CTD

Chemical Name

acetochlor ( From PubChem : ACETOCHLOR )

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
269.767 g/mol	0	3	3.1232	True

Structure

InChI

InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3

InChIKey

VTNQPKFIQCLBDU-UHFFFAOYSA-N

Links

Gene (15 / 36)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(reaction)			ABCB1		C043377
CTD	increases(response to substance)			ABCB1		C043377
CTD	increases(activity)			ABCB1		C043377
CTD	increases(export)			ABCC1		C043377
CTD	increases(metabolic processing)			CYP2B6		C043377
CTD	increases(metabolic processing)			CYP3A4		C043377
PubChem	Potency	uM	31.623	ALDH1A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.039	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	19.139	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	20.256	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.872	AR	-	GI(Protien) :
PubChem	Potency	uM	35.481	AR	-	GI(Protien) :
PubChem	Potency	uM	39.811	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	44.983	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.483	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	56.614	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	57.727	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	28.932	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.483	CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	0.708	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	24.541	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	43.641	ESR1	-	GI(Protien) :
PubChem	None	uM		GSTO1	-	GI(Protien) :
PubChem	None	uM		GSTO1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	61.645	HSPB1	-	GI(Protien) :
PubChem	None	uM		IL1B	-	GI(Protien) :
PubChem	None	uM		MITF	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	2.434	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	3.045	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	7.498	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	7.696	NFE2L2	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
ChEMBL	Potency	nM	31622.800	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	15848.900	CYP3A4	-	Target : CHEMBL340

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