xanomeline Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
cholinergic agents (muscarine receptor agonists/partial antagonists used in the treatment of Alzheimer's disease) 3652 131986-45-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • xanomeline
  • LY246708
  • xanomeline tartrate
  • LY-246708
a cholinergic agonist; used in the treatment of Alzheimer's disease; structure given in first source
  • Molecular weight: 281.42
  • Formula: C14H23N3OS
  • CLOGP: 4.42
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 0
  • TPSA: 38.25
  • ALOGS: -3.57
  • ROTB: 7

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
CHEBI has role CHEBI:38325 muscarinic agonist
CHEBI has role CHEBI:35941 serotonergic agonist
MeSH PA D002491 Central Nervous System Agents
MeSH PA D018678 Cholinergic Agents
MeSH PA D018679 Cholinergic Agonists
MeSH PA D018721 Muscarinic Agonists
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D010277 Parasympathomimetics
MeSH PA D018373 Peripheral Nervous System Agents
MeSH PA D011619 Psychotropic Drugs

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 6.94 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
D(3) dopamine receptor GPCR Ki 6.40 PDSP
Alpha-1B adrenergic receptor GPCR Ki 5.80 PDSP
D(2) dopamine receptor GPCR Ki 6 PDSP
5-hydroxytryptamine receptor 1D GPCR AGONIST Ki 8.20 IUPHAR
5-hydroxytryptamine receptor 2B GPCR ANTAGONIST Ki 7.70 IUPHAR
5-hydroxytryptamine receptor 2C GPCR ANTAGONIST Ki 7.40 IUPHAR
5-hydroxytryptamine receptor 1B GPCR AGONIST Ki 7.30 IUPHAR
5-hydroxytryptamine receptor 1A GPCR AGONIST Ki 7.20 IUPHAR
5-hydroxytryptamine receptor 7 GPCR AGONIST Ki 6.90 IUPHAR
5-hydroxytryptamine receptor 2A GPCR ANTAGONIST Ki 6.90 IUPHAR
5-hydroxytryptamine receptor 1F GPCR AGONIST Ki 6.50 IUPHAR
5-hydroxytryptamine receptor 6 GPCR AGONIST Ki 5.90 IUPHAR
5-hydroxytryptamine receptor 1E GPCR AGONIST Ki 5.60 IUPHAR
Muscarinic acetylcholine receptor M3 GPCR Ki 7.89 CHEMBL
Muscarinic acetylcholine receptor M4 GPCR Ki 7.14 CHEMBL
Muscarinic acetylcholine receptor M5 GPCR Ki 7.10 CHEMBL
Muscarinic acetylcholine receptor M2 GPCR Ki 6.92 CHEMBL
Muscarinic acetylcholine receptor M1 GPCR Ki 7.38 CHEMBL
Muscarinic acetylcholine receptor M2 GPCR IC50 7.80 CHEMBL
Muscarinic acetylcholine receptor M1 GPCR IC50 8.70 CHEMBL
Muscarinic acetylcholine receptor GPCR IC50 8.01 CHEMBL
Muscarinic acetylcholine receptor M1 GPCR EC50 5.24 CHEMBL

External reference:

IDSource
D06330 KEGG_DRUG
9ORI6L73CJ UNII
7125 INN_ID
152854-19-8 SECONDARY_CAS_RN
CHEBI:10056 CHEBI
CHEMBL21536 ChEMBL_ID
60809 PUBCHEM_CID
DB15357 DRUGBANK_ID
CHEMBL2336050 ChEMBL_ID
57 IUPHAR_LIGAND_ID
C075257 MESH_SUPPLEMENTAL_RECORD_UI

Pharmaceutical products:

None