acompound

Showing entry for 3,5-dibromo-4-methoxy-phenylacetic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0014635
Compound Name	3,5-dibromo-4-methoxy-phenylacetic acid
Structure
Formula	C9H8Br2O3
InchiKey	PXJNCNLURDNKJO-UHFFFAOYSA-N
SMILES	COc1c(Br)cc(cc1Br)CC(=O)O
Inchi	InChI=1S/C9H8Br2O3/c1-14-9-6(10)2-5(3-7(9)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
IUPAC	2-(3,5-dibromo-4-methoxyphenyl)acetic acid
Molecular Weight	321.88
Pubchem Id	10734734
Chembl Id	CHEMBL394119

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P41231	BXGT010240	P2Y purinoceptor 2	reviewed	G-protein coupled receptor	P2RY2	Activity	'<'	37	%
Q96G91	BXGT019663	P2Y purinoceptor 11	reviewed	G-protein coupled receptor	P2RY11	Activity	'<'	37	%
P47900	BXGT010595	P2Y purinoceptor 1	reviewed	G-protein coupled receptor	P2RY1	Activity	'<'	37	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01477	Schefflera heptaphylla	Schefflera heptaphylla	Medicinal Plant
BXGF01672	Zanthoxylum brachyacanthum	Zanthoxylum brachyacanthum	Medicinal Plant
BXGF05837	Tribulus terrestris	Tribulus terrestris	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}