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Ligand

NameCHEMBL3691826
Molecular formulaC21H19F3N6O2
IUPAC name[6-methyl-2-(triazol-2-yl)pyridin-3-yl]-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight444.418
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM143768
SCHEMBL16091956
US8969352, 29
Inchi KeyFTIPLKXQDISZMV-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19F3N6O2/c1-12-2-4-15(19(28-12)30-26-6-7-27-30)20(31)29-11-13-8-16(29)17(9-13)32-18-5-3-14(10-25-18)21(22,23)24/h2-7,10,13,16-17H,8-9,11H2,1H3
PubChem CID86271972
ChEMBLCHEMBL3691826
IUPHARN/A
BindingDB143768
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
473622Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
517767Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
473621Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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