Tan Lab | DSigDB

Gene Set: D4 : TTD - 2-(5-Nonyloxy-1H-indol-3-yl)-ethylamine

Collection

D4 : TTD

Chemical Name

2-(5-Nonyloxy-1H-indol-3-yl)-ethylamine ( From PubChem : 5-(NONYLOXY)TRYPTAMINE )

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
302.454 g/mol	2	2	5.4988	False(3/4)

Structure

InChI

InChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19/h9-10,14-15,21H,2-8,11-13,20H2,1H3

InChIKey

Links

Gene (9 / 19)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			HTR1D		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	15.849	EHMT2	-	GI(Protien) :
PubChem	None	uM		HTR1B		GI(Protien) :
PubChem	Potency	uM	7.308	TDP1	-	GI(Protien) :
PubChem	Potency	uM	8.200	TDP1	-	GI(Protien) :
PubChem	Potency	uM	8.414	TDP1	-	GI(Protien) :
PubChem	Potency	uM	9.441	TDP1	-	GI(Protien) :
PubChem	Potency	uM	31.623	TP53	-	GI(Protien) :
ChEMBL	AC50	nM	39.810	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	10000.000	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	10000.000	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	15848.900	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	25118.900	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	7943.300	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	31622.800	TP53	-	Target : CHEMBL4096

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