Tan Lab | DSigDB

Gene Set: D4 : TTD - Vorinostat

Collection

D4 : TTD

Chemical Name

Vorinostat ( From PubChem : VORINOSTAT )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
264.32 g/mol	3	5	2.935	True

Structure

InChI

InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)

InChIKey

WAEXFXRVDQXREF-UHFFFAOYSA-N

Links

Gene (18 / 62)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			HDAC1		Successful target
TTD	Drug(s)			HDAC1		Successful target
PubChem	AC50_uM	uM	0.933	CFTR	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	4.216	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	4.381	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	5.731	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	5.956	ESR1	-	GI(Protien) :
PubChem	Potency	uM	3.350	GMNN	-	GI(Protien) :
PubChem	Potency	uM	3.663	GMNN	-	GI(Protien) :
PubChem	Potency	uM	14.963	GMNN	-	GI(Protien) :
PubChem	None	uM		HDAC3	-	GI(Protien) :
PubChem	None	uM		MDM2	-	GI(Protien) :
PubChem	None	uM		MDM4	-	GI(Protien) :
PubChem	None	uM		MITF	-	GI(Protien) :
PubChem	Potency	uM	2.311	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	4.467	NFE2L2	-	GI(Protien) :
PubChem	IC50	uM	0.747	NR0B1	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.849	NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.952	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	AC50_uM	uM	4.580	PAX8	-	GI(Protien) :
PubChem	None	uM		PAX8	-	GI(Protien) :
PubChem	Potency	uM	0.422	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.596	TDP1	-	GI(Protien) :
ChEMBL	Inhibition	-		ACE	-	Target : CHEMBL1808
ChEMBL	Inhibition	-		CFTR	-	Target : CHEMBL4051
ChEMBL	Activity	-		HDAC1	-	Target : CHEMBL325
ChEMBL	Inhibition	-		HDAC1	-	Target : CHEMBL325
ChEMBL	Inhibition	-		HDAC1	-	Target : CHEMBL325
ChEMBL	Inhibition	-		HDAC2	-	Target : CHEMBL1937
ChEMBL	Activity	-		HDAC2	-	Target : CHEMBL1937
ChEMBL	Inhibition	-		HDAC2	-	Target : CHEMBL1937
ChEMBL	Activity	-		HDAC3	-	Target : CHEMBL1829
ChEMBL	Inhibition	-		HDAC3	-	Target : CHEMBL1829
ChEMBL	Activity	-		HDAC4	-	Target : CHEMBL3524
ChEMBL	Inhibition	-		HDAC4	-	Target : CHEMBL3524
ChEMBL	Inhibition	-		HDAC6	-	Target : CHEMBL1865
ChEMBL	Activity	-		HDAC6	-	Target : CHEMBL1865
ChEMBL	Activity	-		HDAC6	-	Target : CHEMBL1865
ChEMBL	Inhibition	-		HDAC6	-	Target : CHEMBL1865
ChEMBL	Activity	-		HDAC6	-	Target : CHEMBL1865
ChEMBL	Activity	-		HDAC6	-	Target : CHEMBL1865
ChEMBL	Activity	-		HDAC6	-	Target : CHEMBL1865
ChEMBL	Activity	-		HDAC6	-	Target : CHEMBL1865
ChEMBL	Activity	-		HDAC6	-	Target : CHEMBL1865
ChEMBL	Activity	-		HDAC6	-	Target : CHEMBL1865
ChEMBL	Inhibition	-		HDAC6	-	Target : CHEMBL1865
ChEMBL	Activity	-		HDAC7	-	Target : CHEMBL2716
ChEMBL	Inhibition	-		HDAC7	-	Target : CHEMBL2716
ChEMBL	Inhibition	-		HDAC7	-	Target : CHEMBL2716
ChEMBL	Inhibition	-		HDAC7	-	Target : CHEMBL2716
ChEMBL	Inhibition	-		HDAC7	-	Target : CHEMBL2716
ChEMBL	Inhibition	-		HDAC7	-	Target : CHEMBL2716
ChEMBL	Inhibition	-		HDAC7	-	Target : CHEMBL2716
ChEMBL	Inhibition	-		HDAC7	-	Target : CHEMBL2716
ChEMBL	Inhibition	-		HDAC7	-	Target : CHEMBL2716
ChEMBL	Inhibition	-		HDAC7	-	Target : CHEMBL2716
ChEMBL	Inhibition	-		HDAC7	-	Target : CHEMBL2716

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