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Ligand

NameSCHEMBL4536874
Molecular formulaC20H19F4NO5
IUPAC name(3R,5S)-5-(3-fluoro-2,6-dimethoxyphenyl)-3-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
Molecular weight429.368
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.5
SynonymsCHEMBL3954157
BDBM203132
US9242970, 311
Inchi KeyABDGJWRUQFAYLS-LSDHHAIUSA-N
Inchi IDInChI=1S/C20H19F4NO5/c1-28-16-8-7-13(21)18(29-2)17(16)14-9-15(26)19(27)25(14)10-11-3-5-12(6-4-11)30-20(22,23)24/h3-8,14-15,26H,9-10H2,1-2H3/t14-,15+/m0/s1
PubChem CID69082809
ChEMBLCHEMBL3954157
IUPHARN/A
BindingDB203132
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
517321Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517320Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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