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Name | Aclidinium |
---|---|
Molecular formula | C26H30NO4S2+ |
IUPAC name | [(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate |
Molecular weight | 484.649 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.7 |
Synonyms | K17VY42F6C 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 Key | ASMXXROZKSBQIH-VITNCHFBSA-N |
Inchi ID | InChI=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 CID | 11434515 |
ChEMBL | CHEMBL1194325 |
IUPHAR | 7449 |
BindingDB | 50296331 |
DrugBank | DB08897 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
13308 | Muscarinic acetylcholine receptor M1 | P11229 | CHRM1 | Homo sapiens (Human) | 460 |
13307 | Muscarinic acetylcholine receptor M2 | P08172 | CHRM2 | Homo sapiens (Human) | 466 |
13305 | Muscarinic acetylcholine receptor M3 | P20309 | CHRM3 | Homo sapiens (Human) | 590 |
13309 | Muscarinic acetylcholine receptor M4 | P08173 | CHRM4 | Homo sapiens (Human) | 479 |
13306 | Muscarinic acetylcholine receptor M5 | P08912 | CHRM5 | Homo sapiens (Human) | 532 |
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