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Ligand

NameCHEMBL3663408
Molecular formulaC22H26FN5O2
IUPAC name[2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrrolidin-1-ylpyridin-2-yl)methanone
Molecular weight411.481
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.0
SynonymsUS9062078, 101
BDBM163970
SCHEMBL16040848
Inchi KeyCSTPGELOUGJKMU-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26FN5O2/c1-14-4-6-19(27-8-2-3-9-27)20(26-14)21(29)28-17-5-7-18(28)15(10-17)13-30-22-24-11-16(23)12-25-22/h4,6,11-12,15,17-18H,2-3,5,7-10,13H2,1H3
PubChem CID90412362
ChEMBLCHEMBL3663408
IUPHARN/A
BindingDB163970
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
517569Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
469031Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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