Tan Lab | DSigDB

Gene Set: D4 : TTD - GABAZINE

Collection

D4 : TTD

Chemical Name

GABAZINE ( From PubChem : GABAZINE )

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
368.226 g/mol	3	6	2.9608	True

Structure

InChI

InChI=1S/C15H17N3O3.BrH/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20;/h4-9,16H,2-3,10H2,1H3,(H,19,20);1H

InChIKey

GFZHNFOGCMEYTA-UHFFFAOYSA-N

Links

Gene (6 / 15)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			GABRA1		Successful target
TTD	Inhibitor			GABRB2		Successful target
TTD	Inhibitor			GABRG2		Successful target
PubChem	Potency	uM	0.159	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	3.162	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
ChEMBL	Potency	nM	158.500	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	158.490	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	3162.280	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	3162.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	3981.070	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	3981.100	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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