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Ligand

NameSCHEMBL1717503
Molecular formulaC23H23FN4O2
IUPAC name[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
Molecular weight406.461
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.5
SynonymsCHEMBL3655679
BDBM104706
US8569311, 1-28
Inchi KeyNHPFQONZHFJUNT-IAGOWNOFSA-N
Inchi IDInChI=1S/C23H23FN4O2/c1-16-7-8-17(15-30-21-10-9-18(24)13-27-21)14-28(16)23(29)20-6-3-2-5-19(20)22-25-11-4-12-26-22/h2-6,9-13,16-17H,7-8,14-15H2,1H3/t16-,17-/m1/s1
PubChem CID59396033
ChEMBLCHEMBL3655679
IUPHARN/A
BindingDB104706
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
223440Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
223441Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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