Tan Lab | DSigDB

Gene Set: D4 : CTD - denatonium benzoate

Collection

D4 : CTD

Chemical Name

denatonium benzoate ( From PubChem : DENATONIUM BENZOATE )

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
446.581 g/mol	1	4	4.4218	True

Structure

InChI

InChI=1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9)

InChIKey

VWTINHYPRWEBQY-UHFFFAOYSA-N

Links

Gene (3 / 7)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(response to substance)			CCKAR		C029408
CTD	decreases(reaction)			CCKAR		C029408
CTD	decreases(expression)			FOS		C029408
PubChem	Potency	uM	0.008	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
ChEMBL	AC50	nM	7.940	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	7.900	CYP2D6	-	Target : CHEMBL289

Download gene sets

gmt, text, Detailed text

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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