Drug Information

Drug General Information
Drug ID
D03TIX
Former ID
DNC004563
Drug Name
ANDROSTENEDIONE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539885]
Structure
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3D MOL
Formula
C19H26O2
InChI
InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChIKey
AEMFNILZOJDQLW-QAGGRKNESA-N
CAS Number
CAS 63-05-8
PubChem Compound ID
6128
PubChem Substance ID
3575, 75016, 598429, 831360, 841441, 855972, 3162127, 7847119, 7885977, 8145630, 8153839, 14775551, 15962866, 17389251, 17389252, 17404677, 22400337, 24278247, 24702267, 24869681, 25621509, 26751578, 29215020, 29225131, 46508011, 47736685, 48035332, 48422859, 48424700, 48424701, 49856256, 50104208, 50362263, 53777220, 53790644, 56354941, 56354943, 56435876, 56436206, 56436633, 57323206, 57391483, 57650669, 71850513, 85148334, 85267761, 85279313, 92297726, 92303593, 92710448
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [533863]
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 539885(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2860).
Ref 533863J Med Chem. 1994 Jul 8;37(14):2198-205.Synthesis of androst-5-en-7-ones and androsta-3,5-dien-7-ones and their related 7-deoxy analogs as conformational and catalytic probes for the active site of aromatase.