Tan Lab | DSigDB

Gene Set: D4 : CTD - Methylenebis(chloroaniline)

Collection

D4 : CTD

Chemical Name

Methylenebis(chloroaniline) ( From PubChem : 4,4'-METHYLENEBIS(2-CHLOROANILINE) )

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
267.154 g/mol	2	2	4.911	True

Structure

InChI

InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2

InChIKey

Links

Gene (11 / 15)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(oxidation)			CYP2A6		D008753
CTD	decreases(reaction)			CYP3A4		D008753
CTD	increases(oxidation)			CYP3A4		D008753
CTD	affects(metabolic processing)			MPO		D008753
CTD	increases(metabolic processing)			PTGS1		D008753
CTD	increases(metabolic processing)			PTGS2		D008753
PubChem	AhR Potency (uM)	uM	18.684	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	23.718	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	29.613	CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP3A4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	4.218	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	31.027	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	42.177	NR3C1	-	GI(Protien) :
PubChem	Potency	uM	39.811	PPARG	-	GI(Protien) :
ChEMBL	Potency	nM	5011.900	CYP3A4	-	Target : CHEMBL340

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