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Ligand

NameSCHEMBL17064033
Molecular formulaC25H25FN6O3
IUPAC name[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
Molecular weight476.512
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.5
SynonymsUS9493446, 324
BDBM257855
Inchi KeyALLRFJYWSLYPOG-FQEVSTJZSA-N
Inchi IDInChI=1S/C25H25FN6O3/c1-4-34-22-17(7-5-8-19(22)26)24-29-23(30-35-24)20-9-6-12-31(20)25(33)18-13-15(2)16(3)14-21(18)32-27-10-11-28-32/h5,7-8,10-11,13-14,20H,4,6,9,12H2,1-3H3/t20-/m0/s1
PubChem CID73775167
ChEMBLN/A
IUPHARN/A
BindingDB257855
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
536188Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
536187Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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