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Ligand

NameCHEMBL3663484
Molecular formulaC21H20F3N7O
IUPAC name[6-methyl-2-(triazol-1-yl)pyridin-3-yl]-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight443.434
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.1
SynonymsUS9062078, 190
BDBM164060
SCHEMBL16081450
Inchi KeyGHXZJXMDEVEHKN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20F3N7O/c1-12-2-5-15(19(27-12)30-9-8-26-29-30)20(32)31-14-4-6-17(31)16(10-14)28-18-7-3-13(11-25-18)21(22,23)24/h2-3,5,7-9,11,14,16-17H,4,6,10H2,1H3,(H,25,28)
PubChem CID90445451
ChEMBLCHEMBL3663484
IUPHARN/A
BindingDB164060
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
517829Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
474876Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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