Tan Lab | DSigDB

Gene Set: D4 : TTD - BP-897

Collection

D4 : TTD

Chemical Name

BP-897 ( From PubChem : BP 897 )

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
417.543 g/mol	1	5	4.5744	True

Structure

InChI

InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)

InChIKey

MNHDKMDLOJSCGN-UHFFFAOYSA-N

Links

Gene (11 / 20)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ADRA1A		Clinical trial target
TTD	Inhibitor			ADRA1D		Successful target
TTD	Inhibitor			ADRA2A		Successful target
TTD	Inhibitor			DRD1		Successful target
TTD	Inhibitor			DRD3		Successful target
TTD	Inhibitor			DRD4		Clinical trial target
TTD	Inhibitor			HTR1A		Successful target
TTD	Inhibitor			HTR2B		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	3.162	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	8.912	DRD1	-	GI(Protien) :
PubChem	Potency	uM	1.122	KCNH2		GI(Protien) :
PubChem	Potency	uM	1.122	KCNH2		GI(Protien) :
ChEMBL	AC50	nM	3162.280	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	3981.100	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	3981.070	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	3162.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	8912.500	DRD1	-	Target : CHEMBL2056

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