Tan Lab | DSigDB

Gene Set: D4 : CTD - (2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane

Collection

D4 : CTD

Chemical Name

(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane ( From PubChem : WB-4101 )

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
345.39 g/mol	1	6	2.9031	True

Structure

InChI

InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1

InChIKey

GYSZUJHYXCZAKI-AWEZNQCLSA-N

Links

Gene (6 / 12)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(binding)			ADRA1A		C010654
CTD	affects(activity)			HTR1A		C010654
CTD	affects(binding)			HTR1A		C010654
CTD	affects(binding)			HTR1A		C010654
CTD	decreases(reaction)			HTR1A		C010654
PubChem	Potency	uM	0.092	DRD1	-	GI(Protien) :
PubChem	Potency	uM	0.316	DRD1	-	GI(Protien) :
PubChem	Potency	uM	3.162	CYP3A4	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Potency	uM	14.581	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	316.200	DRD1	-	Target : CHEMBL2056
ChEMBL	Potency	nM	3162.300	CYP3A4	-	Target : CHEMBL340

Download gene sets

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Contact us
Tan Lab , Mail Stop 8117
12801 East 17th Avenue
Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA

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