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Ligand

NameCHEMBL3704939
Molecular formulaC21H22F3N7O
IUPAC name[6-methyl-3-(triazol-2-yl)pyridin-2-yl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]methanone
Molecular weight445.45
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM175116
SCHEMBL16031685
US9115117, 18
US9115117, 87
Inchi KeyDLKBIPTYSSGNMW-GOEBONIOSA-N
Inchi IDInChI=1S/C21H22F3N7O/c1-13-5-7-17(31-26-9-10-27-31)19(28-13)20(32)30-11-3-4-16(14(30)2)29-18-8-6-15(12-25-18)21(22,23)24/h5-10,12,14,16H,3-4,11H2,1-2H3,(H,25,29)/t14-,16+/m0/s1
PubChem CID86271015
ChEMBLCHEMBL3704939
IUPHARN/A
BindingDB175116
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
470669Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
517641Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
470668Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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