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Name | CHEMBL606902 |
---|---|
Molecular formula | C23H26N2O2 |
IUPAC name | [(3S)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate |
Molecular weight | 362.473 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 4.0 |
Synonyms | SCHEMBL1735770 (1S)-(3S)-1-azabicyclo[2.2.2]oct-3-yl 3,4-dihydro-1-phenyl-2(1H)-isoquinoline carboxylate ZINC6582254 (3r)-1-azabicyclo[2.2.2]oct-3-yl (1s)-3,4-dihydro-1-phenyl-2(1h)-isoquinolinecarboxylate FBOUYBDGKBSUES-YADHBBJMSA-N |
Inchi Key | FBOUYBDGKBSUES-YADHBBJMSA-N |
Inchi ID | InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22+/m1/s1 |
PubChem CID | 11567493 |
ChEMBL | CHEMBL606902 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
74428 | Muscarinic acetylcholine receptor M1 | P08482 | Chrm1 | Rattus norvegicus (Rat) | 460 |
74429 | Muscarinic acetylcholine receptor M2 | P10980 | Chrm2 | Rattus norvegicus (Rat) | 466 |
74427 | Muscarinic acetylcholine receptor M3 | P08483 | Chrm3 | Rattus norvegicus (Rat) | 589 |
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