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Ligand

NameCHEMBL3669048
Molecular formulaC20H20F3N7O2
IUPAC name[5-methyl-3-(triazol-2-yl)pyridin-2-yl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
Molecular weight447.422
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP3.1
SynonymsUS9115117, 101
BDBM175199
SCHEMBL16031067
Inchi KeyDBJBNLOYFFSGGJ-XJKSGUPXSA-N
Inchi IDInChI=1S/C20H20F3N7O2/c1-12-8-15(30-27-5-6-28-30)17(24-9-12)18(31)29-7-3-4-16(13(29)2)32-19-25-10-14(11-26-19)20(21,22)23/h5-6,8-11,13,16H,3-4,7H2,1-2H3/t13-,16+/m0/s1
PubChem CID90404962
ChEMBLCHEMBL3669048
IUPHARN/A
BindingDB175199
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
469815Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
517595Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
469816Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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