Tan Lab | DSigDB

Gene Set: D4 : TTD - SB 224289

Collection

D4 : TTD

Chemical Name

SB 224289 ( From PubChem : 180083-23-2 )

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
520.621 g/mol	0	7	5.582	False(2/4)

Structure

InChI

InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3

InChIKey

ATQMRMGXINTJHV-UHFFFAOYSA-N

Links

Gene (12 / 35)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			HTR1B		Successful target
TTD	Inhibitor			HTR1B		Successful target
TTD	Inhibitor			HTR1D		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	31.623	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	None	uM		HTR1B		GI(Protien) :
PubChem	None	uM		HTR1B		GI(Protien) :
PubChem	None	uM		HTR1B		GI(Protien) :
PubChem	None	uM		HTR1D		GI(Protien) :
PubChem	None	uM		HTR1D		GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR2C		GI(Protien) :
PubChem	None	uM		HTR2C		GI(Protien) :
PubChem	Potency	uM	5.957	TDP1	-	GI(Protien) :
PubChem	Potency	uM	7.499	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.589	THPO	-	GI(Protien) :
PubChem	Potency	uM	10.000	TP53	-	GI(Protien) :
PubChem	Potency	uM	15.849	TP53	-	GI(Protien) :
PubChem	Potency	uM	15.849	TP53	-	GI(Protien) :
ChEMBL	AC50	nM	3981.070	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	3981.100	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	7943.280	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	7943.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	31622.800	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	31622.800	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	12589.300	THPO	-	Target : CHEMBL1293256
ChEMBL	Potency	nM	15848.900	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	15848.900	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	10000.000	TP53	-	Target : CHEMBL4096

Download gene sets

gmt, text, Detailed text