General
Preferred name
MAREIN
Synonyms
P&D ID
PD156362
CAS
535-96-6
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Marein has the neuroprotective effect due to a reduction of damage to mitochondria function and activation of the AMPK signal pathway. Marein improves insulin resistance induced by high glucose in HepG2 cells through CaMKK/AMPK/GLUT1 to promote glucose uptake, through IRS/Akt/GSK-3¦Â to increase glycogen synthesis, and through Akt/FoxO1 to decrease gluconeogenesis. Marein is a HDAC inhibitor with an IC50 of 100 ¦ÌM. Marein has beneficial antioxidative, antihypertensive, antihyperlipidemic and antidiabetic effects[1][2][3].
PRICE 111
DESCRIPTION Marein shows neuroprotective effect on PC12 cell damage induced by methylglyoxal, which is due to a reduction of damage to mitochondria function and activation of the AMPK signal pathway, it may be a potent compound for preventing/counteracting diabetic encephalopathy. (TargetMol Bioactive Compound Library)
Compound Sets
4
Cayman Chemical Bioactives
33213
MedChem Express Bioactive Compound Library
HY-N7676
Selleckchem Bioactive Compound Library
marein
TargetMol Bioactive Compound Library
TN1911
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
450.12
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
8
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
2
cLogP
-0.42
TPSA
197.37
Fraction CSP3
0.29
Chiral centers
5.0
Largest ring
6.0
QED
0.16
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Akt
AMPK
GLUT
HDAC
HDAC, AMPK
Pathway
Chromatin/Epigenetic
Cytoskeletal Signaling
DNA Damage/DNA Repair
Metabolism
PI3K/Akt/mTOR signaling
Cell Cycle/DNA Damage
Epigenetics
PI3K/Akt/mTOR
Source data