Tan Lab | DSigDB

Gene Set: D4 : TTD - Flupenthixol

Collection

D4 : TTD

Chemical Name

Flupenthixol ( From PubChem : FLUPENTIXOL )

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
434.518 g/mol	1	4	4.4775	True

Structure

InChI

InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+

InChIKey

Links

Gene (10 / 21)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			DRD2		Successful target
TTD	Drug(s)			DRD2		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	15.849	TP53	-	GI(Protien) :
PubChem	Potency	uM	17.783	ATXN2	-	GI(Protien) :
PubChem	Potency	uM	22.387	ATXN2	-	GI(Protien) :
PubChem	Potency	uM	35.481	CBX1	-	GI(Protien) :
PubChem	Potency	uM	0.112	DRD1	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	9.441	TDP1	-	GI(Protien) :
PubChem	Potency	uM	56.234	USP1	-	GI(Protien) :
ChEMBL	AC50	nM	7943.280	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	12589.200	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	12589.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	15848.900	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	35481.300	CBX1	-	Target : CHEMBL1741193
ChEMBL	Potency	nM	112.200	DRD1	-	Target : CHEMBL2056
ChEMBL	Activity	-		DRD2	-	Target : CHEMBL217

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