Tan Lab | DSigDB

Gene Set: D4 : TTD - NSC-30552

Collection

D4 : TTD

Chemical Name

NSC-30552 ( From PubChem : MANGOSTIN )

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
410.46 g/mol	3	6	5.089	False(3/4)

Structure

InChI

InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3

InChIKey

GNRIZKKCNOBBMO-UHFFFAOYSA-N

Links

Gene (15 / 40)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ALOX12		Research target
TTD	Inhibitor			ALOX15		Research target
TTD	Inhibitor			ALOX15B		Research target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	31.623	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	19.953	HPGD	-	GI(Protien) :
PubChem	Potency	uM	28.184	HPGD	-	GI(Protien) :
PubChem	Potency	uM	2.512	MAPT	-	GI(Protien) :
PubChem	Potency	uM	2.818	MAPT	-	GI(Protien) :
PubChem	Potency	uM	7.943	MAPT	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	11.886	TDP1	-	GI(Protien) :
PubChem	Potency	uM	16.360	TDP1	-	GI(Protien) :
PubChem	Potency	uM	18.837	TDP1	-	GI(Protien) :
PubChem	Potency	uM	3.162	TP53	-	GI(Protien) :
PubChem	Potency	uM	10.000	TP53	-	GI(Protien) :
PubChem	Potency	uM	31.623	TP53	-	GI(Protien) :
PubChem	Potency	uM	10.000	USP2	-	GI(Protien) :
ChEMBL	Potency	nM	10000.000	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	5011.900	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	31622.800	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	28183.800	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	19952.600	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	10000.000	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	7943.300	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	2818.400	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	2818.400	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	3548.100	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	11220.200	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	2511.900	MAPT	-	Target : CHEMBL1293224
ChEMBL	Inhibition	-		MDM2	-	Target : CHEMBL5023
ChEMBL	Inhibition	-		MDM2	-	Target : CHEMBL5023
ChEMBL	Inhibition	-		MDM2	-	Target : CHEMBL5023
ChEMBL	Inhibition	-		MDM2	-	Target : CHEMBL5023
ChEMBL	Potency	nM	31622.800	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	10000.000	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	3162.300	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	10000.000	USP2	-	Target : CHEMBL1293227

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