Drug Information

Drug General Information
Drug ID
D0Q9RA
Former ID
DNC009751
Drug Name
2-(4-chlorobenzylidene)cyclopentylmethyl ether
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529980]
Formula
C13H15ClO
Canonical SMILES
COC1CCCC1=CC2=CC=C(C=C2)Cl
InChI
1S/C13H15ClO/c1-15-13-4-2-3-11(13)9-10-5-7-12(14)8-6-10/h5-9,13H,2-4H2,1H3/b11-9+
InChIKey
HTHFNFRVDYWDQC-PKNBQFBNSA-N
PubChem Compound ID
44126812
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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