Tan Lab | DSigDB

Gene Set: D4 : TTD - NAFTOPIDIL

Collection

D4 : TTD

Chemical Name

NAFTOPIDIL ( From PubChem : NAFTOPIDIL )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Not	Not	Not	Approved	Not	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
392.491 g/mol	1	5	3.4132	True

Structure

InChI

InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3/t20-/m1/s1

InChIKey

Links

Gene (10 / 17)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ADRA1A		Clinical trial target
PubChem	AhR Potency (uM)	uM	26.603	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	29.849	AHR	-	GI(Protien) :
PubChem	EC50_1	uM	3.720	CACNA1H	-	GI(Protien) :
PubChem	None	uM		CACNA1H	-	GI(Protien) :
PubChem	None	uM		CACNA1H	-	GI(Protien) :
PubChem	Potency	uM	39.811	CBX1	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	None	uM		DRD2	-	GI(Protien) :
PubChem	Potency	uM	12.589	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	8.912	MAPK1	-	GI(Protien) :
PubChem	None	uM		NPY1R	-	GI(Protien) :
PubChem	Potency	uM	11.886	TDP1	-	GI(Protien) :
ChEMBL	EC50	nM	3720.000	CACNA1H	-	Target : CHEMBL1859
ChEMBL	Potency	nM	39810.700	CBX1	-	Target : CHEMBL1741193
ChEMBL	Potency	nM	12589.300	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	8912.500	MAPK1	-	Target : CHEMBL4040

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