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Ligand

NameCHEMBL3663478
Molecular formulaC20H19F3N8O
IUPAC name[5-methyl-3-(triazol-2-yl)pyridin-2-yl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight444.422
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP2.6
SynonymsUS9062078, 184
BDBM164054
SCHEMBL16081360
Inchi KeyAZUAZEABFTZMKK-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19F3N8O/c1-11-6-15(31-27-4-5-28-31)18(26-8-11)19(32)30-12-2-3-14(30)13(7-12)29-17-10-24-16(9-25-17)20(21,22)23/h4-6,8-10,12-14H,2-3,7H2,1H3,(H,25,29)
PubChem CID90445363
ChEMBLCHEMBL3663478
IUPHARN/A
BindingDB164054
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
465137Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517423Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
465136Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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