Drug Information

Drug General Information
Drug ID
D03POE
Former ID
DNC005899
Drug Name
2-[(2,2-diphenylacetyl)amino]benzoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527759]
Structure
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2D MOL

3D MOL
Formula
C21H17NO3
Canonical SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)O
InChI
1S/C21H17NO3/c23-20(22-18-14-8-7-13-17(18)21(24)25)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23)(H,24,25)
InChIKey
NDZQPXFPOCTXEF-UHFFFAOYSA-N
PubChem Compound ID
4044373
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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