General
Preferred name
EMODIN
Synonyms
NSC408120 ()
Frangula emodin ()
P&D ID
PD001535
CAS
518-82-1
Tags
available
drug candidate
nuisance
Drug Status
investigational
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 Emodin (Frangula emodin), an anthraquinone derivative, is an anti-SARS-CoV compound. Emodin blocks the SARS coronavirus spike protein and angiotensin-converting enzyme 2 (ACE2) interaction[1]. Emodin inhibits casein kinase-2 (CK2). Anti-inflammatory and anticancer effects[2]. Emodin is a potent selective 11¦Â-HSD1 inhibitor with the IC50 of 186 and 86 nM for human and mouse 11¦Â-HSD1, respectively. Emodin ameliorates metabolic disorder in diet-induced obese mice[3].
PRICE 29
DESCRIPTION p56lck Tyrosine kinase inhibitor (LOPAC library)
DESCRIPTION Emodin (Frangula emodin) is a naturally occurring anthraquinone present in the roots and barks of numerous plants; exerts antiproliferative effects in Y cells that are regulated by different signaling pathways. (TargetMol Bioactive Compound Library)
Cell lines
63
Organisms
7
Compound Sets
17
AdooQ Bioactive Compound Library
A10348
Bioprocess diversity set
Cayman Chemical Bioactives
13109
Drug Repurposing Hub
DrugBank
DB07715
DrugMAP
DMAEDQG
EU-OPENSCREEN Bioactive Compound Library
EOS100811
LOPAC library
Mcule NIBR MoA Box Subset
MCULE-1083063386
MedChem Express Bioactive Compound Library
HY-14393
NIH Mechanistic Set
Novartis Chemogenetic Library (NIBR MoA Box)
Nuisance compounds in cellular assays
Selleckchem Bioactive Compound Library
Emodin
TargetMol Bioactive Compound Library
T2869
The Spectrum Collection
ZINC Tool Compounds
ZINC000003824868
External IDs
37
Properties
(calculated by RDKit )
Molecular Weight
270.05
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
2
cLogP
1.89
TPSA
94.83
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.58
QED
0.58
Structural alerts
5
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Aggregator (Nuisance compounds)
Aggregators
Aggregation
Nuisance compounds
Custom attributes
(extracted from source data)
Selectivity
p56lck TK
Biological process
Vesicle traffic
Pathway
Autophagy
Metabolism
Microbiology/virology
Stem Cells
Anti-infection
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Stem Cell/Wnt
Member status
member
MOA
Casein Kinase II (CK2) Inhibitors
11-beta hydroxysteroid dehydrogenase inhibitor
Target
CSNK2A1
11β-HSD
Casein kinase
SARS-CoV
Dehydrogenase
11¦Â-HSD
CK2
Source data