Tan Lab | DSigDB

Gene Set: D4 : TTD - PD-169316

Collection

D4 : TTD

Chemical Name

PD-169316 ( From PubChem : PD 169316 )

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
360.341 g/mol	1	2	5.3762	False(3/4)

Structure

InChI

InChI=1S/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)

InChIKey

Links

Gene (13 / 25)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ALOX5		Research target
PubChem	Potency	uM	31.623	CBX1	-	GI(Protien) :
PubChem	Potency	uM	0.159	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	35.481	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	12.589	GMNN	-	GI(Protien) :
PubChem	Potency	uM	8.912	KCNH2		GI(Protien) :
PubChem	Potency	uM	8.912	KCNH2		GI(Protien) :
PubChem	Potency	uM	19.953	MAPK1	-	GI(Protien) :
PubChem	Potency	uM	14.125	MAPT	-	GI(Protien) :
PubChem	Potency	uM	22.387	MPHOSPH8	-	GI(Protien) :
PubChem	Potency	uM	16.360	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	7.943	NPSR1	-	GI(Protien) :
PubChem	Potency	uM	12.589	THPO	-	GI(Protien) :
ChEMBL	Potency	nM	31622.800	CBX1	-	Target : CHEMBL1741193
ChEMBL	Potency	nM	158.500	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	35481.300	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	12589.300	GMNN	-	Target : CHEMBL1293278
ChEMBL	Potency	nM	19952.600	MAPK1	-	Target : CHEMBL4040
ChEMBL	Potency	nM	14125.400	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	19952.600	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	22387.200	MPHOSPH8	-	Target : CHEMBL1741210
ChEMBL	Potency	nM	16360.100	NFE2L2	-	Target : CHEMBL1075094
ChEMBL	Potency	nM	7943.300	NPSR1	-	Target : CHEMBL5162
ChEMBL	Inhibition	-		RIPK2	-	Target : CHEMBL5014
ChEMBL	Potency	nM	12589.300	THPO	-	Target : CHEMBL1293256

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