General
Preferred name
ALOE-EMODIN
Synonyms
NSC 38628 ()
3-Hydroxymethylchrysazine ()
Rhabarberone ()
Aloe emodin ()
NSC 38628, Rhabarberone ()
P&D ID
PD010804
CAS
481-72-1
Tags
available
drug candidate
Drug indication
Discovery agent
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 Aloe emodin (Rhabarberone) is a natural hydroxyanthraquinone with antitumor activities. aloe-emodin can bind with mTORC2 and inhibit its kinase activity. Aloe emodin exerts antiproliferation effects and induces cellular apoptosis[1]. Aloe emodin also exhibits antiviral activity that against influenza A virus[2].
PRICE 29
DESCRIPTION Aloe emodin (Rhabarberone) is an interferon-inducing agent, for JEV ??IC50=1 ??g/mL?? and EV71??IC50=0.33 ??g/mL ??.
DESCRIPTION Aloe emodin (Rhabarberone) is an interferon-inducing agent, for JEV （IC50=1 μg/mL） and EV71（IC50=0.33 μg/mL ）. (TargetMol Bioactive Compound Library)
Cell lines
7
Organisms
2
Compound Sets
7
AdooQ Bioactive Compound Library
A10057
Cayman Chemical Bioactives
11677
Drug Repurposing Hub
DrugMAP
DMPTY8S
MedChem Express Bioactive Compound Library
HY-N0189
Selleckchem Bioactive Compound Library
Aloe-emodin
TargetMol Bioactive Compound Library
T2843
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
270.05
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
2
cLogP
1.37
TPSA
94.83
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.62
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
Custom attributes
(extracted from source data)
Pathway
Autophagy
Microbiology/virology
Anti-infection
PI3K/Akt/mTOR
Target
CASP8
Apoptosis
Influenza Virus
MTOR
IFN
HSV-1
HSV-2
MOA
anticancer agent
Source data