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Ligand

NameOrexin receptor antagonist, 7
Molecular formulaC21H19ClN6O2
IUPAC name2-[(3R,6R)-1-[4-chloro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight422.873
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM97397
Orexin receptor antagonist 29
SCHEMBL14877057
Orexin receptor antagonist 7
US20130102619, 29
[ Show all ]
Inchi KeyWCUGLZXLNMVHNW-RHSMWYFYSA-N
Inchi IDInChI=1S/C21H19ClN6O2/c1-14-2-4-17(30-20-10-15(12-23)6-7-24-20)13-27(14)21(29)18-5-3-16(22)11-19(18)28-25-8-9-26-28/h3,5-11,14,17H,2,4,13H2,1H3/t14-,17-/m1/s1
PubChem CID71526212
ChEMBLCHEMBL3642142
IUPHARN/A
BindingDB97397
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
370237Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
370238Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
370235Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444
370236Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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