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Ligand

NameOrexin receptor antagonist 9
Molecular formulaC22H22N6O2
IUPAC name2-[(3R,6R)-6-methyl-1-[4-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight402.458
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM97378
SCHEMBL14877048
CHEMBL3642123
US20130102619, 9
Inchi KeyHVKZCWBOKSNHRN-SJLPKXTDSA-N
Inchi IDInChI=1S/C22H22N6O2/c1-15-3-6-19(20(11-15)28-25-9-10-26-28)22(29)27-14-18(5-4-16(27)2)30-21-12-17(13-23)7-8-24-21/h3,6-12,16,18H,4-5,14H2,1-2H3/t16-,18-/m1/s1
PubChem CID71526299
ChEMBLCHEMBL3642123
IUPHARN/A
BindingDB97378
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
125055Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
125056Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
125057Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444
125058Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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