Tan Lab | DSigDB

Gene Set: D4 : TTD - GBR-12909

Collection

D4 : TTD

Chemical Name

GBR-12909 ( From PubChem : GBR 12909 DIHYDROCHLORIDE )

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
523.485 g/mol	2	3	6.801	False(2/4)

Structure

InChI

InChI=1S/C28H32F2N2O.2ClH/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23;;/h1-3,5-6,8-15,28H,4,7,16-22H2;2*1H

InChIKey

MIBSKSYCRFWIRU-UHFFFAOYSA-N

Links

Gene (13 / 19)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ADORA3		Successful target
TTD	Inhibitor			OPRM1		Successful target
TTD	Inhibitor			SLC6A3		Successful target
TTD	Inhibitor			SLC6A4		Clinical trial target
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	15.089	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	16.785	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	18.834	CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	12.589	GMNN	-	GI(Protien) :
PubChem	Potency	uM	21.136	GMNN	-	GI(Protien) :
PubChem	Potency	uM	0.224	KCNH2		GI(Protien) :
PubChem	Potency	uM	0.224	KCNH2		GI(Protien) :
PubChem	Potency	uM	15.849	MPHOSPH8	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	29.847	PPARD	-	GI(Protien) :
PubChem	Potency	uM	37.686	RGS4	-	GI(Protien) :
PubChem	Potency	uM	0.944	TDP1	-	GI(Protien) :
PubChem	Potency	uM	1.059	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	12589.300	GMNN	-	Target : CHEMBL1293278
ChEMBL	Potency	nM	15848.900	MPHOSPH8	-	Target : CHEMBL1741210

Download gene sets

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