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Ligand

NameCHEMBL3669024
Molecular formulaC20H21F3N8O
IUPAC name[5-methyl-3-(triazol-2-yl)pyridin-2-yl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
Molecular weight446.438
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM175170
SCHEMBL16031075
US9115117, 94
Inchi KeyGJNMWMFMBLUHOI-DZGCQCFKSA-N
Inchi IDInChI=1S/C20H21F3N8O/c1-12-8-16(31-27-5-6-28-31)17(24-9-12)18(32)30-7-3-4-15(13(30)2)29-19-25-10-14(11-26-19)20(21,22)23/h5-6,8-11,13,15H,3-4,7H2,1-2H3,(H,25,26,29)/t13-,15+/m0/s1
PubChem CID86271868
ChEMBLCHEMBL3669024
IUPHARN/A
BindingDB175170
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
475018Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
517834Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
475017Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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