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Ligand

NameOrexin receptor antagonist 4
Molecular formulaC22H22N6O2
IUPAC name2-[(3R,6R)-6-methyl-1-[2-methyl-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight402.458
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.4
SynonymsSCHEMBL14876779
CHEMBL3642119
US20130102619, 4
BDBM97374
Inchi KeyGQCLNKPNLVDVKR-SJLPKXTDSA-N
Inchi IDInChI=1S/C22H22N6O2/c1-15-4-3-5-19(28-25-10-11-26-28)21(15)22(29)27-14-18(7-6-16(27)2)30-20-12-17(13-23)8-9-24-20/h3-5,8-12,16,18H,6-7,14H2,1-2H3/t16-,18-/m1/s1
PubChem CID71526209
ChEMBLCHEMBL3642119
IUPHARN/A
BindingDB97374
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
102519Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
102520Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
102518Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460
102521Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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