Tan Lab | DSigDB

Gene Set: D4 : TTD - SB-431542

Collection

D4 : TTD

Chemical Name

SB-431542 ( From PubChem : 301836-41-9 )

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
384.387 g/mol	2	6	4.3336	True

Structure

InChI

InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)

InChIKey

Links

Gene (6 / 16)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			TGFBR1		Clinical trial target
PubChem	Potency	uM	2.512	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	18.837	TDP1	-	GI(Protien) :
PubChem	Potency	uM	21.136	TDP1	-	GI(Protien) :
ChEMBL	AC50	nM	2511.890	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	2511.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	12589.200	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	12589.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	10000.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	10000.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159

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