Tan Lab | DSigDB

Gene Set: D4 : TTD - ZM-336372

Collection

D4 : TTD

Chemical Name

ZM-336372 ( From PubChem : ZM 336372 )

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
389.447 g/mol	3	6	4.4172	True

Structure

InChI

InChI=1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)

InChIKey

Links

Gene (10 / 19)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			BRAF		Research target
TTD	Inhibitor			LCK		Successful target
TTD	Inhibitor			MAPK14		Clinical trial target
TTD	Inhibitor			RAF1		Clinical trial target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	2.512	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	14.125	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	29.855	TDP1	-	GI(Protien) :
PubChem	Potency	uM	7.943	TP53	-	GI(Protien) :
PubChem	Potency	uM	12.589	TP53	-	GI(Protien) :
ChEMBL	AC50	nM	1258.930	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	2511.890	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	2511.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	14125.400	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	7943.300	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	12589.300	TP53	-	Target : CHEMBL4096

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