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Ligand

NameSCHEMBL4534291
Molecular formulaC20H18ClF4NO4
IUPAC name(3S,5S)-5-(3-chloro-2,6-dimethoxyphenyl)-3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
Molecular weight447.811
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP5.0
SynonymsUS9242970, 319
CHEMBL3967901
BDBM203140
Inchi KeyALKRIZHABJGFFB-GJZGRUSLSA-N
Inchi IDInChI=1S/C20H18ClF4NO4/c1-28-16-8-7-13(21)18(29-2)17(16)15-9-14(22)19(27)26(15)10-11-3-5-12(6-4-11)30-20(23,24)25/h3-8,14-15H,9-10H2,1-2H3/t14-,15-/m0/s1
PubChem CID69081778
ChEMBLCHEMBL3967901
IUPHARN/A
BindingDB203140
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
517361Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517360Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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