Tan Lab | DSigDB

Gene Set: D4 : TTD - 3-Isobutyl-1-methyl-3,9-dihydro-purine-2,6-dione

Collection

D4 : TTD

Chemical Name

3-Isobutyl-1-methyl-3,9-dihydro-purine-2,6-dione ( From PubChem : IBMX )

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
222.244 g/mol	1	5	0.0793	True

Structure

InChI

InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)

InChIKey

APIXJSLKIYYUKG-UHFFFAOYSA-N

Links

Gene (7 / 14)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ADORA2B		Successful target
TTD	Inhibitor			PDE2A		Research target
TTD	Inhibitor			PDE4D		Successful target
TTD	Inhibitor			PDE5A		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
ChEMBL	AC50	nM	3981.070	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	12589.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	3981.100	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	15848.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		PDE7A	-	Target : CHEMBL3012

Download gene sets

gmt, text, Detailed text

Contact us
Tan Lab , Mail Stop 8117
12801 East 17th Avenue
Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA

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