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Name | Orexin receptor antagonist 4 |
---|---|
Molecular formula | C22H22N6O2 |
IUPAC name | 2-[(3R,6R)-6-methyl-1-[2-methyl-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile |
Molecular weight | 402.458 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 3.4 |
Synonyms | SCHEMBL14876779 CHEMBL3642119 US20130102619, 4 BDBM97374 |
Inchi Key | GQCLNKPNLVDVKR-SJLPKXTDSA-N |
Inchi ID | InChI=1S/C22H22N6O2/c1-15-4-3-5-19(28-25-10-11-26-28)21(15)22(29)27-14-18(7-6-16(27)2)30-20-12-17(13-23)8-9-24-20/h3-5,8-12,16,18H,6-7,14H2,1-2H3/t16-,18-/m1/s1 |
PubChem CID | 71526209 |
ChEMBL | CHEMBL3642119 |
IUPHAR | N/A |
BindingDB | 97374 |
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 |
---|---|---|---|---|---|
102519 | Orexin receptor type 1 | P56718 | Hcrtr1 | Rattus norvegicus (Rat) | 416 |
102520 | Orexin receptor type 1 | O43613 | HCRTR1 | Homo sapiens (Human) | 425 |
102518 | Orexin receptor type 2 | P56719 | Hcrtr2 | Rattus norvegicus (Rat) | 460 |
102521 | Orexin receptor type 2 | O43614 | HCRTR2 | Homo sapiens (Human) | 444 |
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