Tan Lab | DSigDB

Gene Set: D4 : TTD - L-162313

Collection

D4 : TTD

Chemical Name

L-162313 ( From PubChem : L-162,313 )

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
582.777 g/mol	1	9	8.2725	False(2/4)

Structure

InChI

InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35)

InChIKey

RINPELQWLUGERM-UHFFFAOYSA-N

Links

Gene (12 / 24)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			AGTR1		Successful target
TTD	Inhibitor			AGTR2		Successful target
PubChem	Potency	uM	8.196	ATAD5	-	GI(Protien) :
PubChem	Potency	uM	12.990	ATAD5	-	GI(Protien) :
PubChem	Potency	uM	17.783	ATXN2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	3.162	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	14.125	KCNH2		GI(Protien) :
PubChem	Potency	uM	14.125	KCNH2		GI(Protien) :
PubChem	None	uM		MDM2	-	GI(Protien) :
PubChem	None	uM		MDM4	-	GI(Protien) :
PubChem	Potency	uM	12.589	NPSR1	-	GI(Protien) :
PubChem	Potency	uM	56.234	USP1	-	GI(Protien) :
ChEMBL	Potency	nM	12990.000	ATAD5	-	Target : CHEMBL1741209
ChEMBL	AC50	nM	31622.800	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	12589.200	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	12589.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	3162.280	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	3162.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	12589.300	NPSR1	-	Target : CHEMBL5162

Download gene sets

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