Tan Lab | DSigDB

Gene Set: D4 : TTD - CGS-12066B

Collection

D4 : TTD

Chemical Name

CGS-12066B ( From PubChem : CGS-12066B )

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
334.339 g/mol	0	4	3.261	True

Structure

InChI

InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3

InChIKey

Links

Gene (10 / 19)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			HTR1A		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	23.778	EHMT2	-	GI(Protien) :
PubChem	None	uM		HTR1B		GI(Protien) :
PubChem	None	uM		HTR1B		GI(Protien) :
PubChem	None	uM		HTR1D		GI(Protien) :
PubChem	None	uM		HTR1D		GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR2C		GI(Protien) :
PubChem	Potency	uM	20.596	TDP1	-	GI(Protien) :
ChEMBL	AC50	nM	199.530	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	39.810	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	12589.200	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	12589.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	23778.100	EHMT2	-	Target : CHEMBL6032

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