Drug General Information
Drug ID	D0EW3L
Former ID	DNC007119
Drug Name	BUTEIN
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[530737]
Structure		Download 2D MOL 3D MOL
Formula	C15H12O5
Canonical SMILES	C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)O
InChI	1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
InChIKey	AYMYWHCQALZEGT-ORCRQEGFSA-N
PubChem Compound ID	5281222
Target and Pathway
Target(s)	Angiotensin-converting enzyme	Target Info	Inhibitor	[530737]
	Enoyl-ACP reductase	Target Info	Inhibitor	[528645]
KEGG Pathway	Renin-angiotensin system
	Chagas disease (American trypanosomiasis)
	Hypertrophic cardiomyopathy (HCM)
PathWhiz Pathway	Angiotensin Metabolism
Reactome	Metabolism of Angiotensinogen to Angiotensins
WikiPathways	ACE Inhibitor Pathway
	Metabolism of Angiotensinogen to Angiotensins
References
Ref 530737	Bioorg Med Chem Lett. 2010 Mar 15;20(6):1990-3. Epub 2010 Jan 25.The synthesis and angiotensin converting enzyme (ACE) inhibitory activity of chalcones and their pyrazole derivatives.
Ref 528645	J Med Chem. 2007 Feb 22;50(4):765-75. Epub 2007 Jan 31.Green tea catechins potentiate triclosan binding to enoyl-ACP reductase from Plasmodium falciparum (PfENR).
Ref 530737	Bioorg Med Chem Lett. 2010 Mar 15;20(6):1990-3. Epub 2010 Jan 25.The synthesis and angiotensin converting enzyme (ACE) inhibitory activity of chalcones and their pyrazole derivatives.

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