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Name | Orexin receptor antagonist 22 |
---|---|
Molecular formula | C21H19FN6O2 |
IUPAC name | 2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile |
Molecular weight | 406.421 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 3.1 |
Synonyms | CHEMBL3642135 US20130102619, 22 BDBM97390 SCHEMBL14876958 |
Inchi Key | TZVZAOSVMDBVLR-GDBMZVCRSA-N |
Inchi ID | InChI=1S/C21H19FN6O2/c1-14-5-6-16(30-19-11-15(12-23)7-8-24-19)13-27(14)21(29)20-17(22)3-2-4-18(20)28-25-9-10-26-28/h2-4,7-11,14,16H,5-6,13H2,1H3/t14-,16-/m1/s1 |
PubChem CID | 71526477 |
ChEMBL | CHEMBL3642135 |
IUPHAR | N/A |
BindingDB | 97390 |
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 |
---|---|---|---|---|---|
331509 | Orexin receptor type 1 | O43613 | HCRTR1 | Homo sapiens (Human) | 425 |
331511 | Orexin receptor type 1 | P56718 | Hcrtr1 | Rattus norvegicus (Rat) | 416 |
331510 | Orexin receptor type 2 | P56719 | Hcrtr2 | Rattus norvegicus (Rat) | 460 |
331512 | Orexin receptor type 2 | O43614 | HCRTR2 | Homo sapiens (Human) | 444 |
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