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Ligand

NameCHEMBL3663526
Molecular formulaC21H20F3N7O2
IUPAC name[2-methoxy-6-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight459.433
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM164112
SCHEMBL16081374
US9062078, 242
Inchi KeyBFRKOXFSGJNCQG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20F3N7O2/c1-33-16-4-2-3-15(31-27-7-8-28-31)19(16)20(32)30-12-5-6-14(30)13(9-12)29-18-11-25-17(10-26-18)21(22,23)24/h2-4,7-8,10-14H,5-6,9H2,1H3,(H,26,29)
PubChem CID90445377
ChEMBLCHEMBL3663526
IUPHARN/A
BindingDB164112
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
465691Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517445Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
465692Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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