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Ligand

NameCHEMBL3704956
Molecular formulaC21H24N6O
IUPAC name[(2S,3R)-2-methyl-3-[(5-methylpyridin-2-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
Molecular weight376.464
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.7
SynonymsUS9115117, 37
BDBM175135
SCHEMBL16078139
Inchi KeyDVLDSSYGKZEDFU-FUHWJXTLSA-N
Inchi IDInChI=1S/C21H24N6O/c1-15-9-10-20(22-14-15)25-18-7-5-13-26(16(18)2)21(28)17-6-3-4-8-19(17)27-23-11-12-24-27/h3-4,6,8-12,14,16,18H,5,7,13H2,1-2H3,(H,22,25)/t16-,18+/m0/s1
PubChem CID86271313
ChEMBLCHEMBL3704956
IUPHARN/A
BindingDB175135
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
471549Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
517670Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
471550Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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