General
Preferred name
GLIOTOXIN
Synonyms
Aspergillin ()
Gliotoxin-13C13 ()
P&D ID
PD019287
CAS
67-99-2
Tags
available
drug candidate
nuisance
natural product
Probe control
Probe control not defined
Orthogonal probes
0
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
5
Organisms
4
Compound Sets
8
DrugMAP
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
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
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
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 in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Target
NF-¦ÊB
antibiotic
Bacterial
Fungal
PKA
Pathway
Protein Tyrosine Kinase/RTK
Anti-infection
Apoptosis
NF-κB
Stem Cell/Wnt
TGF-beta/Smad
Member status
member
MOA
NF-kappaB (NFKB) Activation Inhibitors
Cellular injury category
Miscellaneous
Source data
