Tan Lab | DSigDB

Gene Set: D4 : TTD - GYKI-52466

Collection

D4 : TTD

Chemical Name

GYKI-52466 ( From PubChem : GYKI-52466 )

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
293.32 g/mol	1	5	2.2193	True

Structure

InChI

InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3

InChIKey

Links

Gene (8 / 22)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			GRIA1		Clinical trial target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	1.259	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	7.519	EHMT2	-	GI(Protien) :
PubChem	None	uM		MAPT	-	GI(Protien) :
PubChem	Potency	uM	26.609	TDP1	-	GI(Protien) :
PubChem	Potency	uM	29.855	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	7943.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	7943.280	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	1258.930	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	1258.900	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	5011.870	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	12589.200	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	5011.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	12589.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	7519.300	EHMT2	-	Target : CHEMBL6032

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