Tan Lab | DSigDB

Gene Set: D4 : TTD - 6-Benzyloxy-9H-purin-2-ylamine

Collection

D4 : TTD

Chemical Name

6-Benzyloxy-9H-purin-2-ylamine ( From PubChem : O6-BENZYLGUANINE )

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
241.249 g/mol	2	5	2.0953	True

Structure

InChI

InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)

InChIKey

KRWMERLEINMZFT-UHFFFAOYSA-N

Links

Gene (5 / 15)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			MGMT		Research target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	6.310	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
ChEMBL	AC50	nM	1000.000	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	6309.600	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	6309.570	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	7943.280	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	7943.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Activity	-		MGMT	-	Target : CHEMBL2864
ChEMBL	Inhibition	-		MGMT	-	Target : CHEMBL2864

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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