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Name | 3-Quinuclidinyl benzilate |
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Molecular formula | C21H23NO3 |
IUPAC name | 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate |
Molecular weight | 337.419 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.3 |
Synonyms | NCGC00485298-01 quinuclidin-3-yl 2-hydroxy-2,2-diphenyl-acetate [3H]quinuclidinylbenzilate (+/-)-Quinuclidinyl benzilate, powder 1-AZABICYCLO[2.2.2]OCTAN-8-YL 2-HYDROXY-2,2-DI(PHENYL)ACETATE [ Show all ] |
Inchi Key | HGMITUYOCPPQLE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2 |
PubChem CID | 23056 |
ChEMBL | CHEMBL12980 |
IUPHAR | 318 |
BindingDB | 50010096 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
114238 | Muscarinic acetylcholine receptor DM1 | P16395 | mAChR-A | Drosophila melanogaster (Fruit fly) | 805 |
114241 | Muscarinic acetylcholine receptor M1 | P11229 | CHRM1 | Homo sapiens (Human) | 460 |
114237 | Muscarinic acetylcholine receptor M2 | P10980 | Chrm2 | Rattus norvegicus (Rat) | 466 |
114240 | Muscarinic acetylcholine receptor M2 | P08172 | CHRM2 | Homo sapiens (Human) | 466 |
553828 | Muscarinic acetylcholine receptor M3 | P20309 | CHRM3 | Homo sapiens (Human) | 590 |
553829 | Muscarinic acetylcholine receptor M4 | P08173 | CHRM4 | Homo sapiens (Human) | 479 |
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