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Ligand

NameAclidinium
Molecular formulaC26H30NO4S2+
IUPAC name[(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate
Molecular weight484.649
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsK17VY42F6C
AB01565828_02
D0VP1V
UNII-K17VY42F6C
(3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane bromide
[ Show all ]
Inchi KeyASMXXROZKSBQIH-VITNCHFBSA-N
Inchi IDInChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1
PubChem CID11434515
ChEMBLCHEMBL1194325
IUPHAR7449
BindingDB50296331
DrugBankDB08897

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13308Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
13307Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
13305Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
13309Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
13306Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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