Tan Lab | DSigDB

Gene Set: D4 : TTD - SB 206553

Collection

D4 : TTD

Chemical Name

SB 206553 ( From PubChem : SB 206553 )

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
292.335 g/mol	1	5	3.3059	True

Structure

InChI

InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)

InChIKey

QJQORSLQNXDVGE-UHFFFAOYSA-N

Links

Gene (14 / 37)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			HTR2B		Successful target
TTD	Inhibitor			HTR2B		Successful target
PubChem	Potency	uM	39.811	CBX1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	9.466	EHMT2	-	GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR2C		GI(Protien) :
PubChem	None	uM		HTR2C		GI(Protien) :
PubChem	None	uM		MAPT	-	GI(Protien) :
PubChem	Potency	uM	3.663	NPC1	-	GI(Protien) :
PubChem	Potency	uM	6.310	PKM	-	GI(Protien) :
PubChem	Potency	uM	3.162	RAB9A	-	GI(Protien) :
PubChem	Potency	uM	1.000	THPO	-	GI(Protien) :
PubChem	Potency	uM	10.000	TP53	-	GI(Protien) :
PubChem	Potency	uM	10.000	TP53	-	GI(Protien) :
ChEMBL	Potency	nM	39810.700	CBX1	-	Target : CHEMBL1741193
ChEMBL	AC50	nM	25.120	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	3.980	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	12589.200	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	7943.280	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	7943.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	12589.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	9466.200	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	35481.300	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	3662.600	NPC1	-	Target : CHEMBL1293277
ChEMBL	Potency	nM	6309.600	PKM	-	Target : CHEMBL1075189
ChEMBL	Potency	nM	3162.300	RAB9A	-	Target : CHEMBL1293294
ChEMBL	Potency	nM	1000.000	THPO	-	Target : CHEMBL1293256
ChEMBL	Potency	nM	10000.000	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	10000.000	TP53	-	Target : CHEMBL4096

Download gene sets

gmt, text, Detailed text