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Ligand

NameCHEMBL3659219
Molecular formulaC21H24BrN3O3
IUPAC name[2-[(5-bromopyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methylpyridin-2-yl)methanone
Molecular weight446.345
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.0
SynonymsSCHEMBL16039989
US9062078, 51
BDBM163920
Inchi KeyAVLWQXTVVHIWGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24BrN3O3/c1-3-27-18-8-4-13(2)24-20(18)21(26)25-16-6-7-17(25)14(10-16)12-28-19-9-5-15(22)11-23-19/h4-5,8-9,11,14,16-17H,3,6-7,10,12H2,1-2H3
PubChem CID90411715
ChEMBLCHEMBL3659219
IUPHARN/A
BindingDB163920
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
517400Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
464758Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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