Tan Lab | DSigDB

Gene Set: D1 - Approved - BUTORPHANOL

Collection

D1 : Approved

Chemical Name

BUTORPHANOL

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Approved	Not	Not	Not	Not	Not	Not	4

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
327.46 g/mol	2	3	3.3035	True

Structure

InChI

InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1

InChIKey

IFKLAQQSCNILHL-QHAWAJNXSA-N

Links

Gene (7 / 21)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem		uM		CYP1A2		GI(Protien) :
PubChem		uM		CYP2C19		GI(Protien) :
PubChem		uM		CYP2C9		GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem	Ki	uM	0.012	OPRD1		GI(Protien) :
PubChem	Ki	uM	0.012	OPRD1		GI(Protien) :
PubChem	Ki	uM	0.012	OPRD1		GI(Protien) :
PubChem	Ki	uM	0.000	OPRK1		GI(Protien) :
PubChem	Ki	uM	0.000	OPRK1		GI(Protien) :
PubChem	Ki	uM	0.000	OPRK1		GI(Protien) :
PubChem	EC50	uM	0.003	OPRK1		GI(Protien) :
PubChem	Ki	uM	0.000	OPRM1		GI(Protien) :
PubChem	Ki	uM	0.000	OPRM1		GI(Protien) :
PubChem	Ki	uM	0.000	OPRM1		GI(Protien) :
PubChem	IC50	uM	0.014	OPRM1		GI(Protien) :
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340

Download gene sets

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