Drug Information

Drug General Information
Drug ID
D0M8RO
Former ID
DNC003121
Drug Name
4-ANDROSTENE-3-17-DIONE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551374]
Structure
Download
2D MOL

3D MOL
Formula
C19H26O2
Canonical SMILES
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C
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) Aldo-keto reductase family 1 member C3 Target Info Inhibitor [551374]
Cytochrome P450 19 Target Info Inhibitor [551374]
Estradiol 17 beta-dehydrogenase 1 Target Info Inhibitor [551374]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Allopregnanolone biosynthesis
Androgen biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis IPWY-7305:Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Arachidonic acid metabolism
Metabolic pathways
Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
Ovarian steroidogenesis
NetPath Pathway TGF_beta_Receptor Signaling PathwayNetPath_25:FSH Signaling PathwayNetPath_25:FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesisP02727:Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Arachidonic Acid MetabolismPW000045:Androgen and Estrogen MetabolismPW000045:Androgen and Estrogen Metabolism
Reactome Retinoid metabolism and transportR-HSA-211976:Endogenous sterolsR-HSA-2453902:The canonical retinoid cycle in rods (twilight vision)
WikiPathways Metapathway biotransformation
Benzo(a)pyrene metabolism
Arachidonic acid metabolismWP702: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 compoundsWP496:Steroid Biosynthesis
Prostate Cancer
References
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.

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