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Ligand

NameCHEMBL3669039
Molecular formulaC20H19F4N7O
IUPAC name[5-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
Molecular weight449.414
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM175188
SCHEMBL16031139
US9115117, 90
Inchi KeyFSJKTNCHWPGSBK-SWLSCSKDSA-N
Inchi IDInChI=1S/C20H19F4N7O/c1-12-15(29-18-11-25-17(10-26-18)20(22,23)24)3-2-8-30(12)19(32)14-9-13(21)4-5-16(14)31-27-6-7-28-31/h4-7,9-12,15H,2-3,8H2,1H3,(H,26,29)/t12-,15+/m0/s1
PubChem CID86271959
ChEMBLCHEMBL3669039
IUPHARN/A
BindingDB175188
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
473547Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
517763Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
473546Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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