Drug Information

Drug General Information
Drug ID
D0HR7O
Former ID
DNC006181
Drug Name
16-(4-dimethylamino-benzylidene)-estradiol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528033]
Structure
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2D MOL

3D MOL
Formula
C27H33NO2
Canonical SMILES
CC12CCC3C(C1CC(=CC4=CC=C(C=C4)N(C)C)C2O)CCC5=C3C=CC(=C5<br />)O
InChI
1S/C27H33NO2/c1-27-13-12-23-22-11-9-21(29)15-18(22)6-10-24(23)25(27)16-19(26(27)30)14-17-4-7-20(8-5-17)28(2)3/h4-5,7-9,11,14-15,23-26,29-30H,6,10,12-13,16H2,1-3H3/b19-14+/t23?,24?,25?,26-,27-/m0/s1
InChIKey
HUZDSTZYTXBRMO-BACVCVEMSA-N
PubChem Compound ID
44407495
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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