Tan Lab | DSigDB

Gene Set: D4 : TTD - BIBR 1048

Collection

D4 : TTD

Chemical Name

BIBR 1048 ( From PubChem : DABIGATRAN )

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
471.511 g/mol	4	10	3.859	True

Structure

InChI

InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)

InChIKey

YBSJFWOBGCMAKL-UHFFFAOYSA-N

Links

Gene (7 / 17)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			F2		Successful target
TTD	Inhibitor			F2		Successful target
TTD	Drug(s)			F2		Successful target
PubChem	Potency-Replicate_1	uM	29.847	PPARG	-	GI(Protien) :
ChEMBL	Activity	-		ADK	-	Target : CHEMBL3589
ChEMBL	Activity	-		HNMT	-	Target : CHEMBL2190
ChEMBL	Activity	-		HNRNPC	-	Target : CHEMBL2216742
ChEMBL	Activity	-		HYOU1	-	Target : CHEMBL2216741
ChEMBL	Activity	-		NQO2	-	Target : CHEMBL3959
ChEMBL	Activity	-		NQO2	-	Target : CHEMBL3959
ChEMBL	Activity	-		NQO2	-	Target : CHEMBL3959
ChEMBL	Activity	-		NQO2	-	Target : CHEMBL3959
ChEMBL	Activity	-		NQO2	-	Target : CHEMBL3959
ChEMBL	Activity	-		NQO2	-	Target : CHEMBL3959
ChEMBL	Activity	-		NQO2	-	Target : CHEMBL3959
ChEMBL	Activity	-		NQO2	-	Target : CHEMBL3959
ChEMBL	Activity	-		NQO2	-	Target : CHEMBL3959

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