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Ligand

NameCHEMBL3649206
Molecular formulaC19H19FN8O2
IUPAC name4-[5-[2-fluoro-6-(triazol-2-yl)benzoyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-6-methyl-1H-1,3,5-triazin-2-one
Molecular weight410.413
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP0.6
SynonymsBDBM118599
SCHEMBL11920244
US8653263, 252
Inchi KeyAIVGDPBTPXPSDJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19FN8O2/c1-11-23-18(25-19(30)24-11)27-9-12-7-26(8-13(12)10-27)17(29)16-14(20)3-2-4-15(16)28-21-5-6-22-28/h2-6,12-13H,7-10H2,1H3,(H,23,24,25,30)
PubChem CID136321270
ChEMBLCHEMBL3649206
IUPHARN/A
BindingDB118599
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
6549Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
6550Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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