General
Preferred name
XANOMELINE
Synonyms
Xanomeline oxalate ()
LY246708 ()
Xanomeline (tartrate) ()
Xanomeline tartrate ()
[11C]xanomeline ()
Xanomeline (oxalate) ()
LY-246708 ()
LY 246708 (tartrate) ()
LY246708 (oxalate) ()
LY-246708 FREE BASE ()
[11C]xanomeline ()
LY246708 TARTRATE ()
Xanomeline Tartaric Acid ()
LY-246708 TARTRATE ()
P&D ID
PD047532
CAS
141064-23-5
131986-45-3
1018845-70-9
152854-19-8
Tags
available
drug candidate
drug
Drug indication
Discovery agent
Parkinson disease
Alzheimer's Disease Treatment (cholinergic agonist)
Drug Status
investigational
approved
Max Phase
Phase 1
Phase 3
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 Xanomeline is a muscarinic receptor agonist, with preference for the M1 and M4 receptor subtypes . It also has antagonist activity at 5-HT2 receptors, and agonist activity at 5-HT1 receptors . Xanomeline was investigated for potential to improve cognition in Alzheimer's disease (AD) patients, but activation of muscarinic receptors in the gastrointestinal tract caused severe nausea and diarrhoea, and this adverse effect led to discontinuation of xanomeline's clinical development for AD. (GtoPdb)
DESCRIPTION Selective NOP antagonist (Tocris Bioactive Compound Library)
DESCRIPTION Functionally selective M1 agonist (Tocriscreen Plus)
DESCRIPTION Xanomeline is a Muscarinic M1 and M4 receptor agonist under the development of Eli Lilly, though it is also known to act as a M5 receptor antagonist. Xanomeline has been shown to have reasonable efficacy for the treatment of schizophrenia symptoms although gastrointestinal side effects led to a high drop-out rate in clinical trials. Recent studies showed robust improvements in verbal learning and short-term memory associated with xanomeline treatment. In Dec 1998, Phaes-III clinical trials for Alzheimer's disease in USA was discontinued. (BOC Sciences Bioactive Compounds)
DESCRIPTION Muscarinic receptors are G protein-coupled acetylcholine receptors that play diverse roles. Xanomeline oxalate is a potent agonist of muscarinic acetylcholine receptors (EC50 values are 0.3, 92.5, 5, 52, and 42 nM for M1, M2, M3, M4, and M5, respectively). It has antipsychotic-like activities in rats and Cebus monkeys. M1 selective agonists, like Xanomeline oxalate, enhance memory function and has utility in treating Alzheimer's Disease. (BOC Sciences Bioactive Compounds)
Cell lines
1
Organisms
1
Compound Sets
21
BOC Sciences Bioactive Compounds
xanomeline-oxalate-cas-141064-23-5-item-84-272470
xanomeline-cas-131986-45-3-item-394544
Cayman Chemical Bioactives
10790
ChEMBL Drugs
CHEMBL21536
CHEMBL2336050
Concise Guide to Pharmacology 2017/18
3278
Concise Guide to Pharmacology 2021/22
57
Concise Guide to Pharmacology 2023/24
57
Drug Repurposing Hub
DrugBank
DB15357
DrugCentral
3652
DrugCentral Approved Drugs
3652
DrugMAP
DM742L9
DMXG5WU
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
EOS101121
Guide to Pharmacology
57
3278
JUMP-Target 1 Compound Set
60809
Ki Database
xanomeline
MedChem Express Bioactive Compound Library
HY-13410
HY-105182
HY-105182A
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Tocris Bioactive Compound Library
3569
Tocriscreen Plus
3569
External IDs
59
Properties
(calculated by RDKit )
Molecular Weight
281.16
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
7
Ring Count
2
Aromatic Ring Count
1
cLogP
3.22
TPSA
38.25
Fraction CSP3
0.71
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
7-TM Receptors
Primary Target
M1 Receptors
MOA
Agonist
Muscarinic M1 receptor agonist
Muscarinic M4 receptor agonist
Muscarinic M5 receptor agonist
Cholinergic Muscarinic 1-4 agonist
acetylcholine receptor agonist
Member status
member
Target
CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, HTR1A, HTR1B, HTR1D, HTR1E, HTR1F, HTR2A, HTR2B, HTR2C, HTR6, HTR7
CHRM2
mAChR
Pathway
GPCR/G protein
Neuronal Signaling
Solubility
Soluble in DMSO
Source data