Tan Lab | DSigDB

Gene Set: D4 : CTD - NS 1619

Collection

D4 : CTD

Chemical Name

NS 1619 ( From PubChem : NS 1619 )

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
362.227 g/mol	2	3	4.062	True

Structure

InChI

InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)

InChIKey

Links

Gene (14 / 32)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(binding)			BCL2		C086491
CTD	affects(cotreatment)			BCL2		C086491
CTD	decreases(expression)			BCL2		C086491
CTD	increases(activity)			BCL2		C086491
CTD	affects(binding)			KCNMA1		C086491
CTD	affects(cotreatment)			KCNMA1		C086491
CTD	increases(activity)			KCNMA1		C086491
CTD	decreases(expression)			KCNMA1		C086491
CTD	affects(binding)			KCNMB1		C086491
CTD	affects(cotreatment)			KCNMB1		C086491
CTD	increases(activity)			KCNMB1		C086491
CTD	decreases(expression)			KCNMB1		C086491
PubChem	None	uM		ADAM10	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.126	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.794	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	None	uM		HCRTR1	-	GI(Protien) :
PubChem	None	uM		HSP90AA1	-	GI(Protien) :
PubChem	None	uM		KEAP1	-	GI(Protien) :
PubChem	None	uM		MC4R	-	GI(Protien) :
PubChem	None	uM		NFE2L2	-	GI(Protien) :
PubChem	None	uM		OPRM1	-	GI(Protien) :
PubChem	None	uM		PAFAH2	-	GI(Protien) :
PubChem	None	uM		PAFAH2	-	GI(Protien) :
ChEMBL	AC50	nM	3981.070	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	125.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	125.890	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	794.330	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	794.300	CYP2C9	-	Target : CHEMBL3397

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