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Ligand

NameCHEMBL3691807
Molecular formulaC20H18F3N7O2
IUPAC name[6-methyl-3-(triazol-2-yl)pyridin-2-yl]-[6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight445.406
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP2.5
SynonymsUS8969352, 2
BDBM143743
SCHEMBL16042828
Inchi KeyCKWUPZSHHCLQII-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18F3N7O2/c1-11-2-3-13(30-26-4-5-27-30)18(28-11)19(31)29-10-12-6-14(29)15(7-12)32-17-9-24-16(8-25-17)20(21,22)23/h2-5,8-9,12,14-15H,6-7,10H2,1H3
PubChem CID86271695
ChEMBLCHEMBL3691807
IUPHARN/A
BindingDB143743
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
468376Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
517528Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
468377Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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