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Ligand

NameCHEMBL3669050
Molecular formulaC20H19F3N6O2
IUPAC name[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
Molecular weight432.407
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP3.5
SynonymsUS9115117, 103
BDBM175201
SCHEMBL16030927
Inchi KeyFTQQHPMQVXWTDW-SUMWQHHRSA-N
Inchi IDInChI=1S/C20H19F3N6O2/c1-13-17(31-19-24-11-14(12-25-19)20(21,22)23)7-4-10-28(13)18(30)15-5-2-3-6-16(15)29-26-8-9-27-29/h2-3,5-6,8-9,11-13,17H,4,7,10H2,1H3/t13-,17+/m0/s1
PubChem CID90404845
ChEMBLCHEMBL3669050
IUPHARN/A
BindingDB175201
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
473649Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
517768Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
473648Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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