Drug Information

Drug General Information
Drug ID
D03KYW
Former ID
DNC002523
Drug Name
Calusterone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551389]
Structure
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2D MOL

3D MOL
Formula
C21H32O2
Canonical SMILES
CC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)(C)O)C
InChI
1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16-,17-,18+,19-,20-,21-/m0/s1
InChIKey
IVFYLRMMHVYGJH-PVPPCFLZSA-N
CAS Number
CAS 17021-26-0
PubChem Compound ID
28204
PubChem Substance ID
396120, 8170258, 17397488, 34670667, 46507441, 48415683, 49869453, 57310601, 71840285, 80476989, 103590437, 104302092, 126525103, 128225397, 134992461, 137005238, 160964808, 179323743, 198944761, 226396487, 252339522
Target and Pathway
Target(s) Androgen receptor Target Info Inhibitor [551389]
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 551389MR appearance of intra-abdominal metastatic melanoma. Magn Reson Imaging. 1992;10(4):705-8.
Ref 551389MR appearance of intra-abdominal metastatic melanoma. Magn Reson Imaging. 1992;10(4):705-8.

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