Drug Information

Drug General Information
Drug ID
D02JRB
Former ID
DNC006192
Drug Name
6-oxo-16-formyl-estrone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528033]
Structure
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2D MOL

3D MOL
Formula
C19H20O4
Canonical SMILES
CC12CCC3C(C1CC(=CO)C2=O)CC(=O)C4=C3C=CC(=C4)O
InChI
1S/C19H20O4/c1-19-5-4-13-12-3-2-11(21)7-15(12)17(22)8-14(13)16(19)6-10(9-20)18(19)23/h2-3,7,9,13-14,16,20-21H,4-6,8H2,1H3/b10-9-/t13?,14?,16?,19-/m0/s1
InChIKey
ZRLTUTFRAVMGPJ-SSNSBQRSSA-N
PubChem Compound ID
44407480
Target and Pathway
Target(s) Estradiol 17 beta-dehydrogenase 1 Target Info Inhibitor [528033]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
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 The canonical retinoid cycle in rods (twilight vision)
WikiPathways Steroid Biosynthesis
Metabolism of steroid hormones and vitamin D
Prostate Cancer
References
Ref 528033J Med Chem. 2006 Feb 23;49(4):1325-45.Modification of estrone at the 6, 16, and 17 positions: novel potent inhibitors of 17beta-hydroxysteroid dehydrogenase type 1.
Ref 528033J Med Chem. 2006 Feb 23;49(4):1325-45.Modification of estrone at the 6, 16, and 17 positions: novel potent inhibitors of 17beta-hydroxysteroid dehydrogenase type 1.

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