Drug Information

Drug General Information
Drug ID
D0DF1Z
Former ID
DNC005900
Drug Name
M-Phenoxybenzoic Acid For Cis-Isomer
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527759]
Formula
C13H10O3
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O
InChI
1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
InChIKey
NXTDJHZGHOFSQG-UHFFFAOYSA-N
PubChem Compound ID
19539
Target and Pathway
Target(s) Aldo-keto reductase family 1 member C3 Target Info Inhibitor [527759]
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 527759Bioorg Med Chem Lett. 2005 Dec 1;15(23):5170-5. Epub 2005 Sep 23.Nonsteroidal anti-inflammatory drugs and their analogues as inhibitors of aldo-keto reductase AKR1C3: new lead compounds for the development of anticancer agents.
Ref 527759Bioorg Med Chem Lett. 2005 Dec 1;15(23):5170-5. Epub 2005 Sep 23.Nonsteroidal anti-inflammatory drugs and their analogues as inhibitors of aldo-keto reductase AKR1C3: new lead compounds for the development of anticancer agents.

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