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Name | Orexin receptor antagonist 2 |
---|---|
Molecular formula | C23H21N5O2 |
IUPAC name | 2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile |
Molecular weight | 399.454 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 3.0 |
Synonyms | MK-8133 1431472-56-8 SCHEMBL14876855 US20130102619, 2 CHEMBL3426150 [ Show all ] |
Inchi Key | MMRBNOXAAQLWLU-SJLPKXTDSA-N |
Inchi ID | InChI=1S/C23H21N5O2/c1-16-7-8-18(30-21-13-17(14-24)9-12-25-21)15-28(16)23(29)20-6-3-2-5-19(20)22-26-10-4-11-27-22/h2-6,9-13,16,18H,7-8,15H2,1H3/t16-,18-/m1/s1 |
PubChem CID | 71526207 |
ChEMBL | CHEMBL3426150 |
IUPHAR | N/A |
BindingDB | 97407 |
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 |
---|---|---|---|---|---|
209251 | Orexin receptor type 1 | O43613 | HCRTR1 | Homo sapiens (Human) | 425 |
209254 | Orexin receptor type 1 | P56718 | Hcrtr1 | Rattus norvegicus (Rat) | 416 |
209252 | Orexin receptor type 2 | P56719 | Hcrtr2 | Rattus norvegicus (Rat) | 460 |
209253 | Orexin receptor type 2 | O43614 | HCRTR2 | Homo sapiens (Human) | 444 |
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