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Ligand

NameCHEMBL3663529
Molecular formulaC21H20F3N7O
IUPAC name[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight443.434
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM164115
SCHEMBL16081446
US9062078, 245
Inchi KeyFUWWGWDGZGAMFS-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20F3N7O/c1-12-3-2-4-14(19(12)31-27-7-8-28-31)20(32)30-13-5-6-16(30)15(9-13)29-18-11-25-17(10-26-18)21(22,23)24/h2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3,(H,26,29)
PubChem CID90445447
ChEMBLCHEMBL3663529
IUPHARN/A
BindingDB164115
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
473752Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517774Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
473753Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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