Tan Lab | DSigDB

Gene Set: D4 : TTD - 5-(4-Phenylbutoxy)psoralen

Collection

D4 : TTD

Chemical Name

5-(4-Phenylbutoxy)psoralen ( From PubChem : PSORA-4 )

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
334.365 g/mol	0	4	4.9409	True

Structure

InChI

InChI=1S/C21H18O4/c22-20-10-9-16-19(25-20)14-18-17(11-13-23-18)21(16)24-12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12H2

InChIKey

Links

Gene (7 / 23)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			KCNA3		Research target
TTD	Blocker			KCNA3		Research target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.063	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.100	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	0.050	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	0.398	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	25.119	TSHR	-	GI(Protien) :
ChEMBL	AC50	nM	501.190	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	63.100	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	63.100	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	100.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	100.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	50.120	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	50.100	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	398.110	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	398.100	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	25118.900	TSHR	-	Target : CHEMBL1963

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