Tan Lab | DSigDB

Gene Set: D4 : TTD - IODOMELATONIN

Collection

D4 : TTD

Chemical Name

IODOMELATONIN ( From PubChem : 2-IODOMELATONIN )

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
358.175 g/mol	2	3	2.8506	True

Structure

InChI

InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)

InChIKey

Links

Gene (7 / 18)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			MTNR1A		Successful target
TTD	Inhibitor			MTNR1B		Successful target
TTD	Inhibitor			NQO2		Clinical trial target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.501	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
ChEMBL	AC50	nM	398.110	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	7943.280	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	7943.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	501.190	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	501.200	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	15848.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	15848.900	CYP3A4	-	Target : CHEMBL340

Download gene sets