Tan Lab | DSigDB

Gene Set: D4 : TTD - NSC-125034

Collection

D4 : TTD

Chemical Name

NSC-125034 ( From PubChem : NSC125034 )

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
352.43 g/mol	2	6	4.9936	True

Structure

InChI

InChI=1S/C18H12N2O2S2/c21-13-5-1-3-11-7-9-15(19-17(11)13)23-24-16-10-8-12-4-2-6-14(22)18(12)20-16/h1-10,21-22H

InChIKey

Links

Gene (10 / 22)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ALOX12		Research target
PubChem	Potency	uM	3.981	ALDH1A1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	3.162	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	1.585	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	3.162	HIF1A	-	GI(Protien) :
PubChem	Potency	uM	0.562	HPGD	-	GI(Protien) :
PubChem	None	uM		PTGER2	-	GI(Protien) :
PubChem	None	uM		SMAD3	-	GI(Protien) :
ChEMBL	Potency	nM	3981.100	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	AC50	nM	3162.280	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	3162.280	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	3162.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	1584.890	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	1584.900	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	3162.300	HIF1A	-	Target : CHEMBL4261
ChEMBL	Potency	nM	562.300	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	1000.000	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	125.900	HSD17B10	-	Target : CHEMBL4159

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