Tan Lab | DSigDB

Gene Set: D4 : TTD - ROSMARINIC ACID

Collection

D4 : TTD

Chemical Name

ROSMARINIC ACID ( From PubChem : ROSMARINIC ACID )

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
360.315 g/mol	5	8	1.7613	True

Structure

InChI

InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1

InChIKey

Links

Gene (17 / 26)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			MCL1		Clinical trial target
TTD	Inhibitor			TYR		Successful target
PubChem	Potency	uM	3.548	BAZ2B	-	GI(Protien) :
PubChem	Potency	uM	22.387	BLM	-	GI(Protien) :
PubChem	IC50	uM		EIF4H	-	GI(Protien) :
PubChem	None	uM		GAPDH	-	GI(Protien) :
PubChem	None	uM		GNAI1	-	GI(Protien) :
PubChem	Potency	uM	12.589	MAPT	-	GI(Protien) :
PubChem	IC50	uM	2.026	MCL1	-	GI(Protien) :
PubChem	None	uM		MCL1	-	GI(Protien) :
PubChem	IC50	uM		PABPC1	-	GI(Protien) :
PubChem	Potency	uM	0.224	POLB	-	GI(Protien) :
PubChem	None	uM		RGS12	-	GI(Protien) :
PubChem	IC50	uM		SAE1	-	GI(Protien) :
PubChem	Potency	uM	25.119	THRB	-	GI(Protien) :
PubChem	IC50	uM		UBA2	-	GI(Protien) :
PubChem	IC50	uM		UBE2I	-	GI(Protien) :
ChEMBL	Potency	nM	631.000	APEX1	-	Target : CHEMBL5619
ChEMBL	Potency	nM	3548.100	BAZ2B	-	Target : CHEMBL1741220
ChEMBL	Potency	nM	22387.200	BLM	-	Target : CHEMBL1293237
ChEMBL	Potency	nM	12589.300	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	14125.400	MAPT	-	Target : CHEMBL1293224
ChEMBL	IC50	nM	2025.720	MCL1	-	Target : CHEMBL4361
ChEMBL	Potency	nM	223.900	POLB	-	Target : CHEMBL2392
ChEMBL	Potency	nM	3548.100	RECQL	-	Target : CHEMBL1293236
ChEMBL	Potency	nM	25118.900	THRB	-	Target : CHEMBL1947

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