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Ligand

NameCHEMBL3985942
Molecular formulaC23H22FN7O2
IUPAC name[2-[[3-(5-fluoropyridin-2-yl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
Molecular weight447.474
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.5
SynonymsBDBM208487
SCHEMBL16648761
US9266870, 3
Inchi KeyAEZZJXJIJFSUEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22FN7O2/c1-16-3-6-21(31-26-8-9-27-31)18(13-16)23(32)30-10-2-12-33-22(30)15-29-11-7-20(28-29)19-5-4-17(24)14-25-19/h3-9,11,13-14,22H,2,10,12,15H2,1H3
PubChem CID72543761
ChEMBLCHEMBL3985942
IUPHARN/A
BindingDB208487
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
536021Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
536020Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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