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Name | Orexin receptor antagonist 20 |
---|---|
Molecular formula | C22H24N4O3 |
IUPAC name | 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile |
Molecular weight | 392.459 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 2.8 |
Synonyms | CHEMBL3642133 US20130102619, 20 BDBM97388 SCHEMBL14876831 |
Inchi Key | PYKHPQALSQAILK-RHSMWYFYSA-N |
Inchi ID | InChI=1S/C22H24N4O3/c1-14-3-6-17(29-20-11-15(12-23)9-10-24-20)13-26(14)22(27)18-7-8-19(28-2)25-21(18)16-4-5-16/h7-11,14,16-17H,3-6,13H2,1-2H3/t14-,17-/m1/s1 |
PubChem CID | 71526475 |
ChEMBL | CHEMBL3642133 |
IUPHAR | N/A |
BindingDB | 97388 |
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 |
---|---|---|---|---|---|
272057 | Orexin receptor type 1 | P56718 | Hcrtr1 | Rattus norvegicus (Rat) | 416 |
272058 | Orexin receptor type 1 | O43613 | HCRTR1 | Homo sapiens (Human) | 425 |
272055 | Orexin receptor type 2 | P56719 | Hcrtr2 | Rattus norvegicus (Rat) | 460 |
272056 | Orexin receptor type 2 | O43614 | HCRTR2 | Homo sapiens (Human) | 444 |
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