Drug Information

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]
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 530095J 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 530095J 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).

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Tang and Dr. Zhang.