Drug General Information
Drug ID	D00DDO
Former ID	DNC009416
Drug Name	3-Bromo-5-phenylsalicylc acid
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[530095]
Structure		Download 2D MOL 3D MOL
Formula	C13H9BrO3
Canonical SMILES	C1=CC=C(C=C1)C2=CC(=C(C(=C2)Br)O)C(=O)O
InChI	1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)
InChIKey	XVZSXNULHSIRCQ-UHFFFAOYSA-N
PubChem Compound ID	268734
Target and Pathway
Target(s)	Aldo-keto reductase family 1 member C3	Target Info	Inhibitor	[530095]
BioCyc Pathway	Superpathway of steroid hormone biosynthesis
	Allopregnanolone biosynthesis
	Androgen biosynthesis
KEGG Pathway	Steroid hormone biosynthesis
	Arachidonic acid metabolism
	Metabolic pathways
	Ovarian steroidogenesis
NetPath Pathway	TGF_beta_Receptor Signaling Pathway
PathWhiz Pathway	Arachidonic Acid Metabolism
Reactome	Retinoid metabolism and transport
WikiPathways	Metapathway biotransformation
	Benzo(a)pyrene metabolism
	Arachidonic acid metabolism
References
Ref 530095	J Med Chem. 2009 May 28;52(10):3259-64.Structure-guided design, synthesis, and evaluation of salicylic acid-based inhibitors targeting a selectivity pocket in the active site of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1).
Ref 530095	J Med Chem. 2009 May 28;52(10):3259-64.Structure-guided design, synthesis, and evaluation of salicylic acid-based inhibitors targeting a selectivity pocket in the active site of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1).

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