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Ligand

NameOrexin receptor antagonist 1
Molecular formulaC21H20N6O2
IUPAC name2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight388.431
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.0
SynonymsFOEWIXNBXKVERV-NVXWUHKLSA-N
2-{[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]oxy}pyridine-4-carbonitrile
US20130102619, 1
CHEMBL3426137
SCHEMBL14876963
[ Show all ]
Inchi KeyFOEWIXNBXKVERV-NVXWUHKLSA-N
Inchi IDInChI=1S/C21H20N6O2/c1-15-6-7-17(29-20-12-16(13-22)8-9-23-20)14-26(15)21(28)18-4-2-3-5-19(18)27-24-10-11-25-27/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-,17-/m1/s1
PubChem CID71543409
ChEMBLCHEMBL3426137
IUPHARN/A
BindingDB97406
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
83215Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
83217Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
83214Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444
83216Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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