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Ligand

NameOrexin receptor antagonist 33
Molecular formulaC23H20FN5O2
IUPAC name2-[(3R,6R)-1-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight417.444
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.1
SynonymsSCHEMBL14876953
CHEMBL3642146
US20130102619, 33
BDBM97401
Inchi KeyLVTXYUFASHOVGN-NVXWUHKLSA-N
Inchi IDInChI=1S/C23H20FN5O2/c1-15-6-7-17(31-20-12-16(13-25)8-11-26-20)14-29(15)23(30)18-4-2-5-19(24)21(18)22-27-9-3-10-28-22/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-,17-/m1/s1
PubChem CID71526569
ChEMBLCHEMBL3642146
IUPHARN/A
BindingDB97401
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
197639Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
197640Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
197638Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444
197641Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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