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Ligand

NameCHEMBL3659195
Molecular formulaC22H21FN4O2
IUPAC name[2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-pyrazol-1-ylphenyl)methanone
Molecular weight392.434
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM163895
SCHEMBL16078023
US9062078, 26
Inchi KeyACEQZDGXQHUBSC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21FN4O2/c23-16-6-9-21(24-13-16)29-14-15-12-17-7-8-19(15)27(17)22(28)18-4-1-2-5-20(18)26-11-3-10-25-26/h1-6,9-11,13,15,17,19H,7-8,12,14H2
PubChem CID90442497
ChEMBLCHEMBL3659195
IUPHARN/A
BindingDB163895
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
463140Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
463141Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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