General
Preferred name
ELLAGIC ACID
Synonyms
ML062 ()
ICX5609072 ()
Gallogen ()
Lagistase ()
Elagostasine ()
Ellagic Acid hydrate ()
Elagostasine, Gallogen ()
NSC-407286 ()
NSC-656272 ()
Benzoaric acid ()
P&D ID
PD001339
CAS
476-66-4
122328-15-8
133039-73-3
314041-08-2
Tags
obsolete probe
nuisance
probe
natural product
drug candidate
available
Drug indication
Discovery agent
Drug Status
investigational
Max Phase
Phase 2
Probe info
Probe type
experimental probe
Probe sources
MLP Probes
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
6
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
1. Transfer and run the HTS assay for the DNA polymerase III Holoenzyme (Pol III HE) from the representative Gram (-) model organism E. coli. 2. Prioritize compounds identified via HTS of the MLSCN library for further chemical optimization and development.
(MLP Probes)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
3
Organisms
6
Compound Sets
19
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugMAP
DrugMatrix
Enamine BioReference Compounds
LINCS compound set
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
MLP Probes
Novartis Chemogenetic Library (NIBR MoA Box)
Nuisance compounds in cellular assays
Obsolete Compounds
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
43
Molecular Weight
302.01
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
4
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
4
cLogP
1.31
TPSA
141.34
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.22
Structural alerts
2
historic compounds (Chemical Probes.org)
Obsolete
Nonspecific/NOS
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
GPCR/G protein
Metabolism
Angiogenesis
Cytoskeletal Signaling
Stem Cells
Membrane Transporter/Ion Channel
Tyrosine Kinase/Adaptors
Cell Cycle/DNA Damage
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Protein Tyrosine Kinase/RTK
Stem Cell/Wnt
Target
Carbonic Anhydrase
CK2
Smoothened
PKA
PKC
SYK
ATP-competitive CK2
CA1, CA12, CA14, CA2, CA3, CA4, CA5A, CA5B, CA6, CA7, CA9, CSNK2A1, GSK3B, PRKACA, PRKCA, PRKCB, SQLE, SYK
Casein kinase
Endogenous Metabolite
Reactive Oxygen Species
SHP2
Topoisomerase
MOA
Hedgehog/Smoothened antagonist
Syk antagonist
cAMP-Dependent Protein Kinase (PKA) Inhibitors
Inhibitors of Signal Transduction Pathways
PKB alpha/Akt1 Inhibitors
LOXL2-dependent prodrug inhibitor of TGFBR
glutathione transferase inhibitor, non-nucleoside reverse transcriptase inhibitor
Member status
virtual
Source data
