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Ligand

NameSCHEMBL1717157
Molecular formulaC22H22FN5O4
IUPAC name3-[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidine-1-carbonyl]-4-(triazol-2-yl)benzoic acid
Molecular weight439.447
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.1
SynonymsUS8569311, F-4
CHEMBL3655666
BDBM104693
Inchi KeyGQCGSCPIPUSUBF-HUUCEWRRSA-N
Inchi IDInChI=1S/C22H22FN5O4/c1-14-2-3-15(13-32-20-7-5-17(23)11-24-20)12-27(14)21(29)18-10-16(22(30)31)4-6-19(18)28-25-8-9-26-28/h4-11,14-15H,2-3,12-13H2,1H3,(H,30,31)/t14-,15-/m1/s1
PubChem CID25123509
ChEMBLCHEMBL3655666
IUPHARN/A
BindingDB104693
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
102498Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
102497Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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