Drug Information

Drug General Information
Drug ID
D0MC5H
Former ID
DNC009752
Drug Name
2-(4-Chlorobenzylidene)cyclopentanone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529980]
Formula
C12H11ClO
Canonical SMILES
C1CC(=CC2=CC=C(C=C2)Cl)C(=O)C1
InChI
1S/C12H11ClO/c13-11-6-4-9(5-7-11)8-10-2-1-3-12(10)14/h4-8H,1-3H2/b10-8+
InChIKey
WUMOJUUCPXEEQL-CSKARUKUSA-N
PubChem Compound ID
11009103
Target and Pathway
Target(s) Aldo-keto reductase family 1 member C3 Target Info Inhibitor [529980]
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 529980Eur J Med Chem. 2009 Jun;44(6):2563-71. Epub 2009 Feb 5.New cyclopentane derivatives as inhibitors of steroid metabolizing enzymes AKR1C1 and AKR1C3.
Ref 529980Eur J Med Chem. 2009 Jun;44(6):2563-71. Epub 2009 Feb 5.New cyclopentane derivatives as inhibitors of steroid metabolizing enzymes AKR1C1 and AKR1C3.

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