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Ligand

NameCHEMBL3691823
Molecular formulaC23H18F4N4O2
IUPAC name(4-fluoro-2-pyrimidin-2-ylphenyl)-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight458.417
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP3.9
SynonymsUS8969352, 26
BDBM143759
SCHEMBL16045600
US8969352, 20
Inchi KeyAXZNZGVQOXKZLA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H18F4N4O2/c24-15-3-4-16(17(10-15)21-28-6-1-7-29-21)22(32)31-12-13-8-18(31)19(9-13)33-20-5-2-14(11-30-20)23(25,26)27/h1-7,10-11,13,18-19H,8-9,12H2
PubChem CID86271886
ChEMBLCHEMBL3691823
IUPHARN/A
BindingDB143759
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
465005Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
517411Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
465004Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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