Tan Lab | DSigDB

Gene Set: D4 : CTD - Dexmedetomidine

Collection

D4 : CTD

Chemical Name

Dexmedetomidine ( From PubChem : DEXMEDETOMIDINE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
200.28 g/mol	1	1	3.1783	True

Structure

InChI

InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1

InChIKey

Links

Gene (10 / 26)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(binding)			ADRA2A		D020927
CTD	increases(activity)			ADRA2A		D020927
CTD	affects(binding)			ADRA2A		D020927
CTD	decreases(reaction)			ADRA2A		D020927
CTD	increases(activity)			ADRA2A		D020927
CTD	increases(activity)			CASP3		D020927
CTD	increases(activity)			CASP7		D020927
CTD	increases(activity)			CASP8		D020927
CTD	increases(activity)			CASP9		D020927
CTD	increases(expression)			CYP1A1		D020927
CTD	increases(reaction)			CYP1A1		D020927
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.200	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	0.159	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
ChEMBL	AC50	nM	158.490	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	5011.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	5011.870	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	199.500	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	199.530	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	158.500	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	158.490	CYP3A4	-	Target : CHEMBL340

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