General
Preferred name
GLIOTOXIN
Synonyms
Aspergillin ()
Gliotoxin-13C13 ()
P&D ID
PD047629
CAS
67-99-2
Tags
available
drug candidate
nuisance
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 Gliotoxin is a secondary metabolite, the most abundant mycotoxin secreted by A. fumigatus, inhibits the phagocytosis of macrophages and the immune functions of other immune cells [1]. Gliotoxin inhibits inducible NF-¦ÊB activity by preventing I¦ÊB degradation, which consequently induces host-cell apoptosis[2]. Gliotoxin activates PKA and increases intracellular cAMP concentration; modulates actin cytoskeleton rearrangement to facilitate A. fumigatus internalization into lung epithelial cells[3]. Gliotoxin is a potent NOTCH2 transactivation inhibitor, can effectively induce apoptosis of chronic lymphocytic leukemia (CLL) cells[4].
Cell lines
14
Organisms
4
Compound Sets
8
Cayman Chemical Bioactives
11433
9003827
DrugMAP
DMONQYZ
Mcule NIBR MoA Box Subset
MCULE-9719587984
MedChem Express Bioactive Compound Library
HY-N6727
Novartis Chemogenetic Library (NIBR MoA Box)
Nuisance compounds in cellular assays
Reference compounds for characterizing cellular injury in high-content cellular morphology assays
ZINC Tool Compounds
ZINC000003875454
External IDs
38
Properties
(calculated by RDKit )
Molecular Weight
326.04
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
0
cLogP
-0.3
TPSA
81.08
Fraction CSP3
0.54
Chiral centers
4.0
Largest ring
6.0
QED
0.64
Structural alerts
1
Nonspecific/NOS
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Target
NF-¦ÊB
antibiotic
Apoptosis
Bacterial
Fungal
NF-κB
PKA
Pathway
Protein Tyrosine Kinase/RTK
Anti-infection
Stem Cell/Wnt
TGF-beta/Smad
Member status
member
MOA
NF-kappaB (NFKB) Activation Inhibitors
Cellular injury category
Miscellaneous
Source data