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Ligand

NameCHEMBL3640038
Molecular formulaC20H23N7O
IUPAC name[(2S,3R)-2-methyl-3-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
Molecular weight377.452
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.0
SynonymsUS9115117, 31
BDBM175129
SCHEMBL16078125
Inchi KeyGHMOZDOVUXPZTP-DOTOQJQBSA-N
Inchi IDInChI=1S/C20H23N7O/c1-14-12-21-20(22-13-14)25-17-7-5-11-26(15(17)2)19(28)16-6-3-4-8-18(16)27-23-9-10-24-27/h3-4,6,8-10,12-13,15,17H,5,7,11H2,1-2H3,(H,21,22,25)/t15-,17+/m0/s1
PubChem CID90442581
ChEMBLCHEMBL3640038
IUPHARN/A
BindingDB175129
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
474832Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
517827Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
474833Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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