Tan Lab | DSigDB

Gene Set: D4 : TTD - NIGULDIPINE

Collection

D4 : TTD

Chemical Name

NIGULDIPINE ( From PubChem : NIGULDIPINE )

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
609.711 g/mol	1	6	6.8079	False(2/4)

Structure

InChI

InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m1/s1

InChIKey

SVJMLYUFVDMUHP-MGBGTMOVSA-N

Links

Gene (12 / 35)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ADRA1A		Clinical trial target
TTD	Inhibitor			ADRA1B		Successful target
TTD	Inhibitor			ADRA1D		Successful target
TTD	Inhibitor			CACNA1C		Successful target
PubChem	None	uM		MITF	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	11.497	TDP1	-	GI(Protien) :
PubChem	Potency	uM	18.221	TDP1	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.794	CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	1.585	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	None	uM		MAPT	-	GI(Protien) :
PubChem	Potency	uM	11.886	TDP1	-	GI(Protien) :
PubChem	Potency	uM	11.886	TDP1	-	GI(Protien) :
PubChem	Potency	uM	13.336	TDP1	-	GI(Protien) :
PubChem	Potency	uM	13.336	TDP1	-	GI(Protien) :
PubChem	Potency	uM	15.849	TP53	-	GI(Protien) :
PubChem	Potency	uM	25.119	TP53	-	GI(Protien) :
PubChem	Potency	uM	31.623	TP53	-	GI(Protien) :
ChEMBL	AC50	nM	5011.870	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	5011.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	794.330	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	5011.870	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	5011.900	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	794.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	1584.890	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	1584.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	15848.900	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	25118.900	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	31622.800	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	15848.900	TP53	-	Target : CHEMBL4096

Download gene sets

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