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Ligand

NameSCHEMBL1716852
Molecular formulaC22H23FN4O2
IUPAC name[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
Molecular weight394.45
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.6
SynonymsUS8569311, 1-37
CHEMBL3655681
BDBM104708
Inchi KeyJZFNVTJQHXSBPW-IAGOWNOFSA-N
Inchi IDInChI=1S/C22H23FN4O2/c1-16-7-8-17(15-29-21-10-9-18(23)13-24-21)14-26(16)22(28)19-5-2-3-6-20(19)27-12-4-11-25-27/h2-6,9-13,16-17H,7-8,14-15H2,1H3/t16-,17-/m1/s1
PubChem CID59396036
ChEMBLCHEMBL3655681
IUPHARN/A
BindingDB104708
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
163666Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
163667Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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