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Ligand

NameCHEMBL3691837
Molecular formulaC21H18F3N3O2
IUPAC name1H-indol-7-yl-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight401.389
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM143781
SCHEMBL16092020
US8969352, 42
Inchi KeyBHDOEKBJNYFWML-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18F3N3O2/c22-21(23,24)14-4-5-18(26-10-14)29-17-9-12-8-16(17)27(11-12)20(28)15-3-1-2-13-6-7-25-19(13)15/h1-7,10,12,16-17,25H,8-9,11H2
PubChem CID86270656
ChEMBLCHEMBL3691837
IUPHARN/A
BindingDB143781
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
465827Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
517450Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
465828Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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