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Ligand

NameCHEMBL3691840
Molecular formulaC22H18BrFN4O2
IUPAC name[6-(5-bromopyridin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone
Molecular weight469.314
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM143786
SCHEMBL16089433
US8969352, 47
Inchi KeyDZJNFUJQJJPNEW-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H18BrFN4O2/c23-14-5-6-19(27-11-14)30-18-10-13-9-17(18)28(12-13)22(29)20-15(3-1-4-16(20)24)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2
PubChem CID90452188
ChEMBLCHEMBL3691840
IUPHARN/A
BindingDB143786
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
471895Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
517691Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
471896Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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