General
Preferred name
GTS-21
Synonyms
DMBX-anabaseine ()
DMXB-A ()
GTS 21 dihydrochloride ()
GTS-21 (dihydrochloride) ()
DMXB-ANABASEINE ()
Dmxb-a ()
3-(2,4-Dimethoxybenzylidene)Anabaseine ()
Dimethoxybenzylidene anabaseine ()
GTS-21 (hydrochloride) ()
P&D ID
PD016145
CAS
156223-05-1
148372-04-7
Tags
available
drug candidate
Drug indication
Parkinson disease
Drug Status
investigational
Max Phase
2.0
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()] ]]
Description
(extracted from source data)
DESCRIPTION
GTS-21 (DMBX-A), is a novel, small-molecule, orally active and selective α7 nicotinic acetylcholine (nACh) receptor agonist, that has been advanced to clinical evaluation in a range of conditions . There is a report that the anti-inflammatory effects of GTS-21 may be in part due to α7 nACh receptor-independent activity .
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
13
Axon Medchem Screening Library
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
34
Molecular Weight
308.15
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
2
cLogP
3.77
TPSA
43.71
Fraction CSP3
0.26
Chiral centers
0.0
Largest ring
6.0
QED
0.86
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Neuroscience
GPCR/G protein
Membrane Transporter/Ion Channel
Neuronal Signaling
Target
??4??2 nAChR
¦Á4¦Â2 nAChR
CHRNA7
a7 partial agonist
5-HT Receptor
nAChR
MOA
AChR agonist
Nicotinic alpha7 Partial Agonists
cholinergic receptor agonist
Member status
member
Source data
