Tan Lab | DSigDB

Gene Set: D4 : Boss - rcra waste number u157

Collection

D4 : Boss

Chemical Name

rcra waste number u157 ( From PubChem : 3-METHYLCHOLANTHRENE )

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
268.352 g/mol	0	0	5.5532	False(3/4)

Structure

InChI

InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3

InChIKey

Links

Gene (21 / 31)

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Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			AHR
BOSS	Text Mining			AURKB
BOSS	Text Mining			CYGB
BOSS	Text Mining			CYP2B6
BOSS	Text Mining			CYP2C8
BOSS	Text Mining			GYPE
BOSS	Text Mining			HLP
BOSS	Text Mining			HSD17B6
BOSS	Text Mining			KRT6B
BOSS	Text Mining			MAPK3
BOSS	Text Mining			MASP1
BOSS	Text Mining			MIA3
BOSS	Text Mining			PPIG
BOSS	Text Mining			SLC25A20
BOSS	Text Mining			SLC52A2
PubChem	AhR Potency (uM)	uM	0.402	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.487	AHR	-	GI(Protien) :
PubChem	Potency	uM	8.912	AHR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	0.173	AR	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	0.358	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.546	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	6.178	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM		ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM		HSPB1	-	GI(Protien) :
PubChem	Potency	uM	15.849	MAPT	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.048	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.222	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	2.169	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	44.668	THRB	-	GI(Protien) :
ChEMBL	Activity	-		AHR	-	Target : CHEMBL3201
ChEMBL	Potency	nM	15848.900	MAPT	-	Target : CHEMBL1293224

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