acompound

Showing entry for Acefylline

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0023495
Compound Name	Acefylline
Structure
Formula	C9H10N4O4
InchiKey	HCYFGRCYSCXKNQ-UHFFFAOYSA-N
SMILES	OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
Inchi	InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)
IUPAC	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
Molecular Weight	238.07
Pubchem Id	69550
Chembl Id	CHEMBL70246

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

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
reviewed	BXGT009328	Adenosine receptor A2b	reviewed	G-protein coupled receptor	ADORA2B	27600	-	-	-

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
P29275	BXGT009328	Adenosine receptor A2b	reviewed	G-protein coupled receptor	ADORA2B	Ki	'='	27600	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04889	Pogostemon cablin	Pogostemon cablin	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}