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Ligand

NameUNII-AIS8N3O50B
Molecular formulaC21H22FN7O
IUPAC name[(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
Molecular weight407.453
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.8
Synonyms1452539-75-1
Methanone, (5-(4,6-dimethyl-2-pyrimidinyl)hexahydropyrrolo(3,4-C)pyrrol-2(1H)-yl)(2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)-
AIS8N3O50B
CHEMBL3586436
2-(4,6-Dimethylpyrimidin-2-yl)-5-((2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)carbonyl)octahydropyrrolo(3,4-C)pyrrole
[ Show all ]
Inchi KeySQOCEMCKYDVLMM-IYBDPMFKSA-N
Inchi IDInChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+
PubChem CID86278359
ChEMBLCHEMBL3586436
IUPHARN/A
BindingDB50092814
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
502513Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
502511Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444
502512Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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