Tan Lab | DSigDB

Gene Set: D4 : CTD - 5-nitro-2-(3-phenylpropylamino)benzoic acid

Collection

D4 : CTD

Chemical Name

5-nitro-2-(3-phenylpropylamino)benzoic acid ( From PubChem : NPPB )

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
300.309 g/mol	2	3	3.9339	True

Structure

InChI

InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)

InChIKey

Links

Gene (18 / 39)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(expression)			CASP3		C058176
CTD	increases(expression)			CCND1		C058176
CTD	affects(binding)			CFTR		C058176
CTD	increases(activity)			CFTR		C058176
CTD	decreases(activity)			CFTR		C058176
CTD	increases(expression)			CLCN3		C058176
CTD	decreases(response to substance)			CLCN3		C058176
CTD	affects(binding)			GPR35		C058176
CTD	increases(activity)			GPR35		C058176
CTD	decreases(reaction)			SLC16A1		C058176
CTD	increases(uptake)			SLC16A1		C058176
PubChem	None	uM		CASP3	-	GI(Protien) :
PubChem	None	uM		CHRM1	-	GI(Protien) :
PubChem	None	uM		CHRM5	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.501	CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	28.184	HSPA5	-	GI(Protien) :
PubChem	None	uM		KCNQ1	-	GI(Protien) :
PubChem	Potency	uM	3.548	MAPT	-	GI(Protien) :
PubChem	Potency	uM	3.981	MAPT	-	GI(Protien) :
PubChem	Potency	uM	4.467	MAPT	-	GI(Protien) :
PubChem	Potency	uM	5.623	MAPT	-	GI(Protien) :
PubChem	None	uM		PAFAH1B2	-	GI(Protien) :
PubChem	None	uM		PLA2G7	-	GI(Protien) :
PubChem	None	uM		SENP6	-	GI(Protien) :
PubChem	None	uM		SENP6	-	GI(Protien) :
PubChem	None	uM		SENP7	-	GI(Protien) :
PubChem	None	uM		SENP8	-	GI(Protien) :
PubChem	None	uM		SENP8	-	GI(Protien) :
PubChem	None	uM		SENP8	-	GI(Protien) :
ChEMBL	Potency	nM	7943.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	501.200	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	501.190	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	3548.100	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	4466.800	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	5623.400	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	3981.100	MAPT	-	Target : CHEMBL1293224

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