LY2584702

Ligand id: 8248

Name: LY2584702

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 75.52
Molecular weight 445.16
XLogP 4.5
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
Synonyms
LY 2584702 | LY-2584702
Comments
LY2584702 is reported as an ATP competitive, selective inhibitor of the p70 ribosomal protein S6 kinase (p70S6K) [3]. p70S6K is a downstream component of the PI3K/Akt/mTOR signalling pathway which regulates cell proliferation and survival. LY2584702 was originally developed as a potential oncology therapeutic, but the programme was terminated due to a lack of clinical efficacy. Subsequent study has discovered that LY2584702 produces effects that indicate potential efficacy as a therapy for dyslipidemia [2]. In healthy dyslipidemic volunteers LY2584702 dose‐dependently and significantly reduced pasma low‐density lipoprotein cholesterol and triglycerides, whilst leaving high‐density lipoprotein cholesterol levels unchanged. However, metabolism of LY2584702 generates 4-aminopyrazolo[3,4-d]pyrimidine (4-APP; PubChem CID 75420), a compound which may contribute towards the adverse hepatotoxicity associated with LY2584702 exposure. Further determination of the anti-dyslipidemia potential of p70S6K inhibitors could be advanced by the development of non-4-APP forming compounds.
Database Links
CAS Registry No. 1082949-67-4
GtoPdb PubChem SID 249565928
PubChem CID 25118925
Search Google for chemical match using the InChIKey FYXRSVDHGLUMHB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FYXRSVDHGLUMHB
Search UniChem for chemical match using the InChIKey FYXRSVDHGLUMHB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FYXRSVDHGLUMHB