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Ligand

NameOrexin receptor antagonist 22
Molecular formulaC21H19FN6O2
IUPAC name2-[(3R,6R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight406.421
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.1
SynonymsSCHEMBL14876958
CHEMBL3642135
US20130102619, 22
BDBM97390
Inchi KeyTZVZAOSVMDBVLR-GDBMZVCRSA-N
Inchi IDInChI=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 CID71526477
ChEMBLCHEMBL3642135
IUPHARN/A
BindingDB97390
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
331509Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
331511Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
331510Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460
331512Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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