Drug Information

Drug General Information
Drug ID
D0E2RV
Former ID
DNC004615
Drug Name
3-(4-Amino-phenyl)-3-heptyl-piperidine-2,6-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533478]
Structure
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2D MOL

3D MOL
Formula
C18H26N2O2
Canonical SMILES
CCCCCCCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N
InChI
1S/C18H26N2O2/c1-2-3-4-5-6-12-18(13-11-16(21)20-17(18)22)14-7-9-15(19)10-8-14/h7-10H,2-6,11-13,19H2,1H3,(H,20,21,22)
InChIKey
OSRMOQHQZPPFAZ-UHFFFAOYSA-N
PubChem Compound ID
360578
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [533478]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome 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 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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