Tan Lab | DSigDB

Gene Set: D4 : TTD - DuP-697

Collection

D4 : TTD

Chemical Name

DuP-697 ( From PubChem : DUP 697 )

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
411.308 g/mol	0	3	6.468	False(3/4)

Structure

InChI

InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3

InChIKey

AJFTZWGGHJXZOB-UHFFFAOYSA-N

Links

Gene (5 / 14)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			PTGS2		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.794	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	None	uM		PLA2G7	-	GI(Protien) :
PubChem	None	uM		PLA2G7	-	GI(Protien) :
ChEMBL	AC50	nM	398.110	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	5011.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	5011.870	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	794.330	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	794.300	CYP2C9	-	Target : CHEMBL3397

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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