Tan Lab | DSigDB

Gene Set: D4 : Boss - rcra waste number u247

Collection

D4 : Boss

Chemical Name

rcra waste number u247 ( From PubChem : METHOXYCHLOR )

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
345.648 g/mol	0	2	5.2059	False(3/4)

Structure

InChI

InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3

InChIKey

Links

Gene (13 / 24)

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Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			AHR
BOSS	Text Mining			AKR1B1
BOSS	Text Mining			CASP3
BOSS	Text Mining			CD53
BOSS	Text Mining			DDT
BOSS	Text Mining			EREG
PubChem	Potency	uM	14.125	ALDH1A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	8.655	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	17.478	AR	-	GI(Protien) :
PubChem	Potency	uM	39.811	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.150	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	54.777	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	4.301	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	19.377	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	43.380	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	49.716	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM		ESR1	-	GI(Protien) :
PubChem	Potency	uM	33.492	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	61.131	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	39.811	NR1I2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	44.668	NR1I2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	24.394	NR3C1	-	GI(Protien) :
PubChem	Potency	uM	28.184	PPARG	-	GI(Protien) :
ChEMBL	Potency	nM	14125.400	ALDH1A1	-	Target : CHEMBL3577

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