Tan Lab | DSigDB

Gene Set: D4 : TTD - BETA-CCM

Collection

D4 : TTD

Chemical Name

BETA-CCM ( From PubChem : BETA-CCM )

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
226.231 g/mol	1	3	2.5027	True

Structure

InChI

InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3

InChIKey

UKHFPVCOXBJPIN-UHFFFAOYSA-N

Links

Gene (7 / 13)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			GABRA1		Successful target
TTD	Inhibitor			GABRB2		Successful target
TTD	Inhibitor			GABRG2		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP3A4	-	GI(Protien) :
ChEMBL	AC50	nM	630.960	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	3981.100	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	3981.070	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	15848.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	25118.900	HSD17B10	-	Target : CHEMBL4159

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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