Tan Lab | DSigDB

Gene Set: D4 : TTD - Lovastatin

Collection

D4 : TTD

Chemical Name

Lovastatin ( From PubChem : LOVASTATIN )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
404.54 g/mol	1	5	4.1955	True

Structure

InChI

InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1

InChIKey

PCZOHLXUXFIOCF-BXMDZJJMSA-N

Links

Gene (25 / 38)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			HMGCR		Successful target
TTD	Drug(s)			HMGCR		Successful target
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	5.262	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	11.883	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	27.167	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	34.859	CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	15.849	EHMT2	-	GI(Protien) :
PubChem	None	uM		GAPDH	-	GI(Protien) :
PubChem	Potency	uM	7.308	IDH1	-	GI(Protien) :
PubChem	Potency	uM	18.356	IDH1	-	GI(Protien) :
PubChem	None	uM		MDM2	-	GI(Protien) :
PubChem	None	uM		MDM4	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	30.482	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	31.623	NR1I2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.314	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	None	uM		SMARCA2	-	GI(Protien) :
PubChem	Potency	uM	15.849	SMN2	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	11.886	TDP1	-	GI(Protien) :
PubChem	Potency	uM	13.336	TDP1	-	GI(Protien) :
PubChem	Potency	uM	20.596	TDP1	-	GI(Protien) :
PubChem	Potency	uM	25.929	TDP1	-	GI(Protien) :
PubChem	Potency	uM	50.119	VDR	-	GI(Protien) :
ChEMBL	Activity	-		AKT1	-	Target : CHEMBL4282
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	10000.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	15848.900	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	15848.900	SMN1; SMN2	-	Target : CHEMBL1293232

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