Drug Information

Drug General Information
Drug ID
D0Q5ZJ
Former ID
DNC000182
Drug Name
Alpha-estradiol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534842]
Structure
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2D MOL

3D MOL
Formula
C18H24O2
Canonical SMILES
CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
InChI
1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1
InChIKey
VOXZDWNPVJITMN-SFFUCWETSA-N
CAS Number
CAS 57-91-0
PubChem Compound ID
68570
PubChem Substance ID
5544, 82900, 8139857, 8143675, 8192210, 11364694, 11367256, 11369818, 11372859, 11375418, 11377981, 12146107, 14897274, 15221951, 22391544, 24702251, 24894682, 26755326, 26755327, 43125123, 46488040, 47217073, 48421883, 49688698, 50087220, 50473417, 51091460, 56310604, 57316935, 57392211, 91704112, 92298710, 92721154, 93165615, 103097915, 104234168, 104342496, 124892354, 124892355, 126523270, 126619403, 129506091, 134971198, 135727368, 137003335, 139780840, 144208460, 144213948, 162228627, 163138824
ChEBI ID
ChEBI:17160
Target and Pathway
Target(s) Androgen receptor Target Info Antagonist [534842]
KEGG Pathway Oocyte meiosis
Pathways in cancer
Prostate cancer
NetPath Pathway EGFR1 Signaling Pathway
AndrogenReceptor Signaling Pathway
FSH Signaling Pathway
Pathway Interaction Database Regulation of nuclear SMAD2/3 signaling
Coregulation of Androgen receptor activity
Regulation of Androgen receptor activity
Nongenotropic Androgen signaling
Regulation of nuclear beta catenin signaling and target gene transcription
FOXA1 transcription factor network
Notch-mediated HES/HEY network
Reactome Nuclear Receptor transcription pathway
Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3
WikiPathways SIDS Susceptibility Pathways
Integrated Pancreatic Cancer Pathway
Prostate Cancer
Integrated Breast Cancer Pathway
Nuclear Receptors
Androgen receptor signaling pathway
References
Ref 534842Androgen antagonistic effect of estramustine phosphate (EMP) metabolites on wild-type and mutated androgen receptor. Biochem Pharmacol. 1998 May 1;55(9):1427-33.
Ref 534842Androgen antagonistic effect of estramustine phosphate (EMP) metabolites on wild-type and mutated androgen receptor. Biochem Pharmacol. 1998 May 1;55(9):1427-33.

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