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Ligand

NameOrexin receptor antagonist 14
Molecular formulaC19H18N6O2S
IUPAC name2-[(3R,6R)-6-methyl-1-[3-(triazol-2-yl)thiophene-2-carbonyl]piperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight394.453
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.0
SynonymsSCHEMBL14876902
CHEMBL3642128
US20130102619, 14
BDBM97383
Inchi KeyHARDDASKVMKGRN-UKRRQHHQSA-N
Inchi IDInChI=1S/C19H18N6O2S/c1-13-2-3-15(27-17-10-14(11-20)4-6-21-17)12-24(13)19(26)18-16(5-9-28-18)25-22-7-8-23-25/h4-10,13,15H,2-3,12H2,1H3/t13-,15-/m1/s1
PubChem CID71526390
ChEMBLCHEMBL3642128
IUPHARN/A
BindingDB97383
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
110091Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
110092Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
110090Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444
110093Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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