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Ligand

NameCHEMBL3663407
Molecular formulaC21H20FN5O3
IUPAC name[2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)pyridin-2-yl]methanone
Molecular weight409.421
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.5
SynonymsBDBM163969
SCHEMBL16041015
US9062078, 100
Inchi KeyFHSUUOFPYHOBCL-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20FN5O3/c1-12-2-4-16(19-23-6-7-29-19)18(26-12)20(28)27-15-3-5-17(27)13(8-15)11-30-21-24-9-14(22)10-25-21/h2,4,6-7,9-10,13,15,17H,3,5,8,11H2,1H3
PubChem CID90412493
ChEMBLCHEMBL3663407
IUPHARN/A
BindingDB163969
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
517717Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
472591Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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