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Name | SCHEMBL1717157 |
---|---|
Molecular formula | C22H22FN5O4 |
IUPAC name | 3-[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidine-1-carbonyl]-4-(triazol-2-yl)benzoic acid |
Molecular weight | 439.447 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 3.1 |
Synonyms | BDBM104693 US8569311, F-4 CHEMBL3655666 |
Inchi Key | GQCGSCPIPUSUBF-HUUCEWRRSA-N |
Inchi ID | InChI=1S/C22H22FN5O4/c1-14-2-3-15(13-32-20-7-5-17(23)11-24-20)12-27(14)21(29)18-10-16(22(30)31)4-6-19(18)28-25-8-9-26-28/h4-11,14-15H,2-3,12-13H2,1H3,(H,30,31)/t14-,15-/m1/s1 |
PubChem CID | 25123509 |
ChEMBL | CHEMBL3655666 |
IUPHAR | N/A |
BindingDB | 104693 |
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 |
---|---|---|---|---|---|
102498 | Orexin receptor type 1 | P56718 | Hcrtr1 | Rattus norvegicus (Rat) | 416 |
102497 | Orexin receptor type 2 | P56719 | Hcrtr2 | Rattus norvegicus (Rat) | 460 |
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