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Ligand

NameCHEMBL3691847
Molecular formulaC21H20F3N7O
IUPAC name[6-methyl-3-(triazol-2-yl)pyridin-2-yl]-[6-[[5-(trifluoromethyl)pyridin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight443.434
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM143793
SCHEMBL16091969
US8969352, 54
Inchi KeyDUSWDGIUZGEZMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20F3N7O/c1-12-2-4-16(31-26-6-7-27-31)19(28-12)20(32)30-11-13-8-15(17(30)9-13)29-18-5-3-14(10-25-18)21(22,23)24/h2-7,10,13,15,17H,8-9,11H2,1H3,(H,25,29)
PubChem CID86270753
ChEMBLCHEMBL3691847
IUPHARN/A
BindingDB143793
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
471482Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
517669Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
471483Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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