Drug General Information
Drug ID	D0PB2W
Former ID	DNC011058
Drug Name	BETA-HYDROXYETHYL THEOPHYLLINE
Synonyms	Etofylline
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[530966]
Structure		Download 2D MOL 3D MOL
Formula	C9H12N4O3
Canonical SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO
InChI	1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3
InChIKey	NWPRCRWQMGIBOT-UHFFFAOYSA-N
PubChem Compound ID	1892
Target and Pathway
Target(s)	Adenosine A2b receptor	Target Info	Inhibitor	[530966]
KEGG Pathway	Rap1 signaling pathway
	Calcium signaling pathway
	Neuroactive ligand-receptor interaction
	Vascular smooth muscle contraction
	Alcoholism
NetPath Pathway	TGF_beta_Receptor Signaling Pathway
	TCR Signaling Pathway
Pathway Interaction Database	C-MYB transcription factor network
PathWhiz Pathway	Intracellular Signalling Through Adenosine Receptor A2b and Adenosine
Reactome	Adenosine P1 receptors
	G alpha (s) signalling events
	Surfactant metabolism
WikiPathways	Nucleotide GPCRs
	GPCRs, Class A Rhodopsin-like
	GPCR ligand binding
	GPCR downstream signaling
References
Ref 530966	Eur J Med Chem. 2010 Aug;45(8):3459-71. Epub 2010 May 7.Insights into binding modes of adenosine A(2B) antagonists with ligand-based and receptor-based methods.
Ref 530966	Eur J Med Chem. 2010 Aug;45(8):3459-71. Epub 2010 May 7.Insights into binding modes of adenosine A(2B) antagonists with ligand-based and receptor-based methods.

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