General
Preferred name
EMODIN
Synonyms
NSC408120 ()
Frangula emodin ()
P&D ID
PD001535
CAS
518-82-1
Tags
available
nuisance
drug candidate
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 p56lck Tyrosine kinase inhibitor (LOPAC library)
Cell lines
63
Organisms
6
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
aggregator (ZINC)
Aggregators
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
aggregator (Aggregator Advisor)
Aggregators
Aggregator (Nuisance compounds)
Aggregators
Aggregation
Nuisance compounds
Custom attributes
(extracted from source data)
Selectivity
p56lck TK
Biological process
Vesicle traffic
Pathway
Metabolism
Stem Cells
Anti-infection
Autophagy
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Stem Cell/Wnt
Target
CK2
CSNK2A1
11β-HSD
Casein kinase
SARS-CoV
Dehydrogenase
Member status
member
MOA
Casein Kinase II (CK2) Inhibitors
11-beta hydroxysteroid dehydrogenase inhibitor
Source data