Tan Lab | DSigDB

Gene Set: D4 : TTD - ACACETIN

Collection

D4 : TTD

Chemical Name

ACACETIN ( From PubChem : ACACETIN )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Not	Not	Not	Not	Not	Not	Approved	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
284.263 g/mol	2	5	2.8798	True

Structure

InChI

InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3

InChIKey

DANYIYRPLHHOCZ-UHFFFAOYSA-N

Links

Gene (20 / 45)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ALOX5		Successful target
TTD	Inhibitor			CYP1B1		Research target
TTD	Inhibitor			XDH		Successful target
PubChem	None	uM		CASP3	-	GI(Protien) :
PubChem	AC50_uM	uM	50.000	CFTR	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	2.512	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	3.162	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	AC50_uM	uM	4.207	GSK3A	-	GI(Protien) :
PubChem	Potency	uM	0.794	HIF1A	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	Potency	uM	3.162	RAB9A	-	GI(Protien) :
PubChem	None	uM		SENP6	-	GI(Protien) :
PubChem	None	uM		SENP6	-	GI(Protien) :
PubChem	None	uM		SENP7	-	GI(Protien) :
PubChem	None	uM		SENP7	-	GI(Protien) :
PubChem	None	uM		SENP8	-	GI(Protien) :
PubChem	Potency	uM	10.000	SMAD3	-	GI(Protien) :
PubChem	None	uM		SMARCA2	-	GI(Protien) :
PubChem	Potency	uM	23.715	TDP1	-	GI(Protien) :
ChEMBL	Inhibition	-		ALOX5	-	Target : CHEMBL215
ChEMBL	Activity	-		CYP1A1	-	Target : CHEMBL2231
ChEMBL	Activity	-		CYP1A1	-	Target : CHEMBL2231
ChEMBL	Activity	-		CYP1A1	-	Target : CHEMBL2231
ChEMBL	Activity	-		CYP1A1	-	Target : CHEMBL2231
ChEMBL	AC50	nM	63.100	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Activity	-		CYP1B1	-	Target : CHEMBL4878
ChEMBL	Activity	-		CYP1B1	-	Target : CHEMBL4878
ChEMBL	AC50	nM	1000.000	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	12589.200	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	12589.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	2511.890	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	2511.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	3162.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	7943.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	794.300	HIF1A	-	Target : CHEMBL4261
ChEMBL	Potency	nM	3162.300	RAB9A	-	Target : CHEMBL1293294

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