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Ligand

NameUS9475819, 10A
Molecular formulaC22H22FN5O2
IUPAC name[(1S,2R,4R)-2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
Molecular weight407.449
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM64682
SCHEMBL16040194
CHEMBL3907862
Inchi KeyFNSBFXNNFNCHOW-WDYCEAGBSA-N
Inchi IDInChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3/t15-,17+,19-/m0/s1
PubChem CID90411864
ChEMBLCHEMBL3907862
IUPHARN/A
BindingDB64682
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
538041Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
538043Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
538042Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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