Drug General Information
Drug ID
D0A2GB
Former ID
DNC004617
Drug Name
3-(4-Amino-phenyl)-3-pentyl-piperidine-2,6-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533478]
Structure
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2D MOL

3D MOL

Formula
C16H22N2O2
Canonical SMILES
CCCCCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N
InChI
1S/C16H22N2O2/c1-2-3-4-10-16(11-9-14(19)18-15(16)20)12-5-7-13(17)8-6-12/h5-8H,2-4,9-11,17H2,1H3,(H,18,19,20)
InChIKey
VFLOMQQDKBQIOE-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [533478]
Cytochrome P450 11A1, mitochondrial Target Info Inhibitor [533478]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis IPWY-7305:Superpathway of steroid hormone biosynthesis
Pregnenolone biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
Ovarian steroidogenesis
NetPath Pathway FSH Signaling PathwayNetPath_25:FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen MetabolismPW000141:Steroidogenesis
Reactome Endogenous sterolsR-HSA-211976:Endogenous sterols
WikiPathways Metapathway biotransformation
Tryptophan metabolism
Oxidation by Cytochrome P450
Ovarian Infertility Genes
Metabolism of steroid hormones and vitamin D
FSH signaling pathway
Integrated Breast Cancer Pathway
Phase 1 - Functionalization of compoundsWP98:Prostaglandin Synthesis and Regulation
Glucocorticoid & Mineralcorticoid Metabolism
Corticotropin-releasing hormone
Phase 1 - Functionalization of compounds
References
Ref 533478J Med Chem. 1986 Aug;29(8):1362-9.Aromatase inhibitors. Synthesis and evaluation of mammary tumor inhibiting activity of 3-alkylated 3-(4-aminophenyl)piperidine-2,6-diones.
Ref 533478J Med Chem. 1986 Aug;29(8):1362-9.Aromatase inhibitors. Synthesis and evaluation of mammary tumor inhibiting activity of 3-alkylated 3-(4-aminophenyl)piperidine-2,6-diones.

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