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Ligand

NameCHEMBL3691850
Molecular formulaC21H18F4N6O
IUPAC name[5-fluoro-2-(triazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)pyridin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight446.41
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM143796
SCHEMBL16091934
US8969352, 57
Inchi KeyDMOGSWQIKPEGKH-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18F4N6O/c22-14-2-3-17(31-27-5-6-28-31)15(9-14)20(32)30-11-12-7-16(18(30)8-12)29-19-4-1-13(10-26-19)21(23,24)25/h1-6,9-10,12,16,18H,7-8,11H2,(H,26,29)
PubChem CID86270842
ChEMBLCHEMBL3691850
IUPHARN/A
BindingDB143796
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
470776Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
517647Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
470777Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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