Tan Lab | DSigDB

Gene Set: D4 : Boss - dexmedetomidine

Collection

D4 : Boss

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 (27 / 38)

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Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			ARSA
BOSS	Text Mining			BDNF-AS
BOSS	Text Mining			C7orf49
BOSS	Text Mining			CASP3
BOSS	Text Mining			CFB
BOSS	Text Mining			GPR182
BOSS	Text Mining			HBB
BOSS	Text Mining			ICAM1
BOSS	Text Mining			IL10
BOSS	Text Mining			IL4
BOSS	Text Mining			IL6
BOSS	Text Mining			INS
BOSS	Text Mining			ISYNA1
BOSS	Text Mining			MAPK3
BOSS	Text Mining			MPO
BOSS	Text Mining			PGAP1
BOSS	Text Mining			PLXNA3
BOSS	Text Mining			SGSM3
BOSS	Text Mining			SHBG
BOSS	Text Mining			SLC25A20
BOSS	Text Mining			SPRR2A
BOSS	Text Mining			TLR4
BOSS	Text Mining			TNF
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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