Tan Lab | DSigDB

Gene Set: D4 : TTD - METHOCTRAMINE

Collection

D4 : TTD

Chemical Name

METHOCTRAMINE ( From PubChem : METHOCTRAMINE )

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
582.903 g/mol	4	6	8.7874	False(2/4)

Structure

InChI

InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3

InChIKey

RPMBYDYUVKEZJA-UHFFFAOYSA-N

Links

Gene (7 / 15)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ADORA3		Successful target
TTD	Inhibitor			CHRM2		Successful target
TTD	Inhibitor			CHRM2		Successful target
PubChem	Potency	uM	10.000	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	6.513	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.995	TDP1	-	GI(Protien) :
PubChem	Potency	uM	17.783	BLM	-	GI(Protien) :
PubChem	Potency	uM	17.783	BLM	-	GI(Protien) :
PubChem	Potency	uM	50.119	MPHOSPH8	-	GI(Protien) :
PubChem	Potency	uM	12.589	NPSR1	-	GI(Protien) :
ChEMBL	Potency	nM	10000.000	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	17782.800	BLM	-	Target : CHEMBL1293237
ChEMBL	Potency	nM	17782.800	BLM	-	Target : CHEMBL1293237
ChEMBL	Potency	nM	50118.700	MPHOSPH8	-	Target : CHEMBL1741210
ChEMBL	Potency	nM	12589.300	NPSR1	-	Target : CHEMBL5162

Download gene sets

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