Tan Lab | DSigDB

Gene Set: D4 : CTD - Proadifen

Collection

D4 : CTD

Chemical Name

Proadifen ( From PubChem : PROADIFEN )

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
353.498 g/mol	0	3	4.6578	True

Structure

InChI

InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3

InChIKey

SNTQPLDRUZOSDP-UHFFFAOYSA-N

Links

Gene (17 / 42)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(reaction)			AR		D011335
CTD	increases(activity)			AR		D011335
CTD	increases(reaction)			AR		D011335
CTD	increases(expression)			ATF3		D011335
CTD	increases(activity)			CASP3		D011335
CTD	decreases(activity)			CYP1A2		D011335
CTD	decreases(reaction)			CYP2A6		D011335
CTD	increases(metabolic processing)			CYP2A6		D011335
CTD	decreases(reaction)			CYP2B6		D011335
CTD	increases(metabolic processing)			CYP2B6		D011335
CTD	decreases(reaction)			CYP2C19		D011335
CTD	increases(metabolic processing)			CYP2C19		D011335
CTD	decreases(reaction)			CYP2E1		D011335
CTD	increases(metabolic processing)			CYP2E1		D011335
CTD	decreases(activity)			CYP2E1		D011335
CTD	decreases(reaction)			CYP3A		D011335
CTD	increases(metabolic processing)			CYP3A		D011335
CTD	decreases(expression)			EGR1		D011335
CTD	increases(expression)			GDF15		D011335
CTD	affects(response to substance)			GSK3B		D011335
CTD	decreases(activity)			GSK3B		D011335
CTD	decreases(response to substance)			GSK3B		D011335
CTD	decreases(reaction)			KLK3		D011335
CTD	increases(expression)			KLK3		D011335
CTD	increases(reaction)			KLK3		D011335
CTD	decreases(expression)			MCL1		D011335
CTD	decreases(reaction)			NOS3		D011335
CTD	increases(expression)			NOS3		D011335
PubChem	Potency	uM	0.016	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	0.063	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	1.000	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	1.995	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
ChEMBL	AC50	nM	63.100	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	15.850	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	15.800	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	63.100	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	1000.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	1995.260	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	1995.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	1000.000	CYP3A4	-	Target : CHEMBL340

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