Tan Lab | DSigDB

Gene Set: D4 : CTD - Oxymetazoline

Collection

D4 : CTD

Chemical Name

Oxymetazoline ( From PubChem : OXYMETAZOLINE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
260.375 g/mol	2	3	2.6151	True

Structure

InChI

InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)

InChIKey

WYWIFABBXFUGLM-UHFFFAOYSA-N

Links

Gene (14 / 43)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(binding)			ADRA1A		D010109
CTD	affects(binding)			ADRA1A		D010109
CTD	increases(activity)			ADRA1A		D010109
CTD	increases(abundance)			ADRA1A		D010109
CTD	decreases(reaction)			ADRA1A		D010109
CTD	affects(binding)			ADRA1A		D010109
CTD	decreases(reaction)			ADRA1A		D010109
CTD	affects(binding)			ADRA1B		D010109
CTD	decreases(reaction)			ADRA1B		D010109
CTD	affects(binding)			ADRA1D		D010109
CTD	affects(binding)			ADRA1D		D010109
CTD	decreases(reaction)			ADRA1D		D010109
CTD	affects(binding)			ADRA2A		D010109
CTD	decreases(reaction)			ADRA2A		D010109
CTD	affects(binding)			ADRA2B		D010109
CTD	increases(activity)			ADRA2B		D010109
CTD	increases(abundance)			ADRA2B		D010109
CTD	decreases(reaction)			ADRA2B		D010109
CTD	affects(binding)			ADRA2C		D010109
CTD	decreases(reaction)			ADRA2C		D010109
CTD	affects(cotreatment)			CYP2C19		D010109
CTD	increases(metabolic processing)			CYP2C19		D010109
CTD	decreases(reaction)			SLC22A2		D010109
CTD	increases(uptake)			SLC22A2		D010109
PubChem	Potency	uM	0.040	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	None	uM		HTR1B		GI(Protien) :
PubChem	None	uM		HTR1D		GI(Protien) :
PubChem	None	uM		HTR2C		GI(Protien) :
PubChem	Potency	uM	10.593	TDP1	-	GI(Protien) :
ChEMBL	Activity	-		ADRA2A	-	Target : CHEMBL1867
ChEMBL	AC50	nM	12589.200	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	39.800	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	3981.100	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	3981.070	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	39.810	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	12589.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	15848.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	15848.900	CYP3A4	-	Target : CHEMBL340

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